N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline

C42H93F3N6O — CID 158711630

IUPACN-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESC.C.C.C.C.CC1CCCCO1.CCNC(C)(C)C.CCNC1CC1.CCNC1CCCC1.CCNCC(F)(F)F.Cc1ncc2c(n1)CCCC2
InChIInChI=1S/C9H12N2.C7H15N.C6H15N.C6H12O.C5H11N.C4H8F3N.5CH4/c1-7-10-6-8-4-2-3-5-9(8)11-7;1-2-8-7-5-3-4-6-7;1-5-7-6(2,3)4;1-6-4-2-3-5-7-6;1-2-6-5-3-4-5;1-2-8-3-4(5,6)7;;;;;/h6H,2-5H2,1H3;7-8H,2-6H2,1H3;7H,5H2,1-4H3;6H,2-5H2,1H3;5-6H,2-4H2,1H3;8H,2-3H2,1H3;5*1H4
InChIKeyIIUKQSXKEFZTDZ-UHFFFAOYSA-N
MW755.24 g/mol
LogP11.27
Rot. Bonds7

About N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline

N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline (PubChem CID 158711630) has the molecular formula C42H93F3N6O and a molecular weight of 755.24 g/mol. Its IUPAC name is N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound NameN-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline
PubChem CID158711630
Molecular FormulaC42H93F3N6O
Molecular Weight755.24 g/mol
Exact Mass754.74
IUPAC NameN-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline
SMILESC.C.C.C.C.CC1CCCCO1.CCNC(C)(C)C.CCNC1CC1.CCNC1CCCC1.CCNCC(F)(F)F.Cc1ncc2c(n1)CCCC2
InChIInChI=1S/C9H12N2.C7H15N.C6H15N.C6H12O.C5H11N.C4H8F3N.5CH4/c1-7-10-6-8-4-2-3-5-9(8)11-7;1-2-8-7-5-3-4-6-7;1-5-7-6(2,3)4;1-6-4-2-3-5-7-6;1-2-6-5-3-4-5;1-2-8-3-4(5,6)7;;;;;/h6H,2-5H2,1H3;7-8H,2-6H2,1H3;7H,5H2,1-4H3;6H,2-5H2,1H3;5-6H,2-4H2,1H3;8H,2-3H2,1H3;5*1H4
InChIKeyIIUKQSXKEFZTDZ-UHFFFAOYSA-N
XLogP11.27
TPSA83.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500755.24
LogP ≤ 511.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline (CID 158711630) is N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline is C.C.C.C.C.CC1CCCCO1.CCNC(C)(C)C.CCNC1CC1.CCNC1CCCC1.CCNCC(F)(F)F.Cc1ncc2c(n1)CCCC2.
What is the InChIKey of N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is IIUKQSXKEFZTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C7H15N.C6H15N.C6H12O.C5H11N.C4H8F3N.5CH4/c1-7-10-6-8-4-2-3-5-9(8)11-7;1-2-8-7-5-3-4-6-7;1-5-7-6(2,3)4;1-6-4-2-3-5-7-6;1-2-6-5-3-4-5;1-2-8-3-4(5,6)7;;;;;/h6H,2-5H2,1H3;7-8H,2-6H2,1H3;7H,5H2,1-4H3;6H,2-5H2,1H3;5-6H,2-4H2,1H3;8H,2-3H2,1H3;5*1H4.
What are the key properties of N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline?
N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 755.24 g/mol, XLogP of 11.27, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylcyclopentanamine;N-ethylcyclopropanamine;N-ethyl-2-methylpropan-2-amine;N-ethyl-2,2,2-trifluoroethanamine;methane;2-methyloxane;2-methyl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 158711630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).