N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C18H29N3 — CID 81425156

IUPACN-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(C3CCC(C)CC3)ncc2C1
InChIInChI=1S/C18H29N3/c1-3-19-11-14-6-9-17-16(10-14)12-20-18(21-17)15-7-4-13(2)5-8-15/h12-15,19H,3-11H2,1-2H3
InChIKeyROIFKXGWNYIQEN-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.48
Rot. Bonds4

About N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425156) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425156
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(C3CCC(C)CC3)ncc2C1
InChIInChI=1S/C18H29N3/c1-3-19-11-14-6-9-17-16(10-14)12-20-18(21-17)15-7-4-13(2)5-8-15/h12-15,19H,3-11H2,1-2H3
InChIKeyROIFKXGWNYIQEN-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424418
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
CID 81425998
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424582
N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
CID 81424268
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425987
N-[[2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424580
N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424942
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425515
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 103150835

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425156) is N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(C3CCC(C)CC3)ncc2C1.
What is the InChIKey of N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is ROIFKXGWNYIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-11-14-6-9-17-16(10-14)12-20-18(21-17)15-7-4-13(2)5-8-15/h12-15,19H,3-11H2,1-2H3.
What are the key properties of N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 287.45 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).