N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine

C12H17N3 — CID 81424264

IUPACN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine
SMILESc1ncc2c(n1)CCC(CNC1CC1)C2
InChIInChI=1S/C12H17N3/c1-4-12-10(7-13-8-15-12)5-9(1)6-14-11-2-3-11/h7-9,11,14H,1-6H2
InChIKeyIBOBRGNOLBQZQF-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.33
Rot. Bonds3

About N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine

N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine (PubChem CID 81424264) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine
PubChem CID81424264
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC NameN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine
SMILESc1ncc2c(n1)CCC(CNC1CC1)C2
InChIInChI=1S/C12H17N3/c1-4-12-10(7-13-8-15-12)5-9(1)6-14-11-2-3-11/h7-9,11,14H,1-6H2
InChIKeyIBOBRGNOLBQZQF-UHFFFAOYSA-N
XLogP1.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
CID 81425753
N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
CID 81424268
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
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
(9aS)-5,5a,6,7,8,9,9a,10-octahydrobenzo[g]quinazoline
CID 89116853
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
CID 81425998
N'-cyclopropyl-N-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)ethane-1,2-diamine
CID 107126609
N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
CID 81424586
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
7-[(cyclopropylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 105470440

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine?
The IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine (CID 81424264) is N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine is c1ncc2c(n1)CCC(CNC1CC1)C2.
What is the InChIKey of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine?
The InChIKey is IBOBRGNOLBQZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-12-10(7-13-8-15-12)5-9(1)6-14-11-2-3-11/h7-9,11,14H,1-6H2.
What are the key properties of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine?
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine has a molecular weight of 203.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine is sourced from PubChem (CID 81424264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).