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

C17H29N3 — CID 81424281

IUPACN-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)c1ncc2c(n1)CCC(CNCC(C)C)C2
InChIInChI=1S/C17H29N3/c1-5-13(4)17-19-11-15-8-14(6-7-16(15)20-17)10-18-9-12(2)3/h11-14,18H,5-10H2,1-4H3
InChIKeyCPBGKXXFRNTSBH-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.34
Rot. Bonds6

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

N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine (PubChem CID 81424281) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
PubChem CID81424281
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
SMILESCCC(C)c1ncc2c(n1)CCC(CNCC(C)C)C2
InChIInChI=1S/C17H29N3/c1-5-13(4)17-19-11-15-8-14(6-7-16(15)20-17)10-18-9-12(2)3/h11-14,18H,5-10H2,1-4H3
InChIKeyCPBGKXXFRNTSBH-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-butan-2-yl-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]ethanamine
CID 81424582
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine
CID 81425640
N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
CID 81425529
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
2-butan-2-yl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81423692
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116731929
1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116731934
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
N-[[2-(butan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]propan-2-amine
CID 81425761
N-[[2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424580
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine (CID 81424281) is N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine is CCC(C)c1ncc2c(n1)CCC(CNCC(C)C)C2.
What is the InChIKey of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is CPBGKXXFRNTSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-13(4)17-19-11-15-8-14(6-7-16(15)20-17)10-18-9-12(2)3/h11-14,18H,5-10H2,1-4H3.
What are the key properties of N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine?
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81424281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).