N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine

C17H29N3 — CID 81425529

IUPACN-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCc1ncc2c(n1)CCC(CNCC(C)C)C2
InChIInChI=1S/C17H29N3/c1-4-5-6-17-19-12-15-9-14(7-8-16(15)20-17)11-18-10-13(2)3/h12-14,18H,4-11H2,1-3H3
InChIKeyHLZZNJQVMFUACV-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.17
Rot. Bonds7

About N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine

N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine (PubChem CID 81425529) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
PubChem CID81425529
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
SMILESCCCCc1ncc2c(n1)CCC(CNCC(C)C)C2
InChIInChI=1S/C17H29N3/c1-4-5-6-17-19-12-15-9-14(7-8-16(15)20-17)11-18-10-13(2)3/h12-14,18H,4-11H2,1-3H3
InChIKeyHLZZNJQVMFUACV-UHFFFAOYSA-N
XLogP3.17
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
CID 81424281
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine
CID 81425640
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 103150835
N-[[2-(butan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
CID 81425761
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424582
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425868
2-methoxy-N-[[2-(propylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424448
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
(2-ethyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81423082

Frequently Asked Questions

What is the IUPAC name of N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine (CID 81425529) is N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine is CCCCc1ncc2c(n1)CCC(CNCC(C)C)C2.
What is the InChIKey of N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is HLZZNJQVMFUACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-5-6-17-19-12-15-9-14(7-8-16(15)20-17)11-18-10-13(2)3/h12-14,18H,4-11H2,1-3H3.
What are the key properties of N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81425529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).