N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine

C18H27N3 — CID 81424268

IUPACN-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
SMILESc1nc(C2CCCCC2)nc2c1CC(CNC1CC1)CC2
InChIInChI=1S/C18H27N3/c1-2-4-14(5-3-1)18-20-12-15-10-13(6-9-17(15)21-18)11-19-16-7-8-16/h12-14,16,19H,1-11H2
InChIKeyBPBWOIASRLOWPZ-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.38
Rot. Bonds4

About N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine

N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine (PubChem CID 81424268) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
PubChem CID81424268
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
SMILESc1nc(C2CCCCC2)nc2c1CC(CNC1CC1)CC2
InChIInChI=1S/C18H27N3/c1-2-4-14(5-3-1)18-20-12-15-10-13(6-9-17(15)21-18)11-19-16-7-8-16/h12-14,16,19H,1-11H2
InChIKeyBPBWOIASRLOWPZ-UHFFFAOYSA-N
XLogP3.38
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine with MolForge

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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-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine
CID 81424264
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
N-[[2-(tert-butylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81424957
N-[[2-(2-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81425997
N-[[2-(5-bromothiophen-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]cyclopropanamine
CID 81424269
N-[(2-piperidin-1-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-2-amine
CID 81425763
[2-(oxolan-2-yl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81423847
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
2-(3-ethylcyclohexyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424540

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine (CID 81424268) is N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine is c1nc(C2CCCCC2)nc2c1CC(CNC1CC1)CC2.
What is the InChIKey of N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine?
The InChIKey is BPBWOIASRLOWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-4-14(5-3-1)18-20-12-15-10-13(6-9-17(15)21-18)11-19-16-7-8-16/h12-14,16,19H,1-11H2.
What are the key properties of N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine?
N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine has a molecular weight of 285.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine is sourced from PubChem (CID 81424268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).