3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine

C17H27N3 — CID 143397821

IUPAC3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)CC1=NC2CC=CC=C2C(C)=N1
InChIInChI=1S/C17H27N3/c1-4-10-18-11-9-13(2)12-17-19-14(3)15-7-5-6-8-16(15)20-17/h5-7,13,16,18H,4,8-12H2,1-3H3
InChIKeyTXAUCJBPFNJQHP-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.53
Rot. Bonds7

About 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine

3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine (PubChem CID 143397821) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine
PubChem CID143397821
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine
SMILESCCCNCCC(C)CC1=NC2CC=CC=C2C(C)=N1
InChIInChI=1S/C17H27N3/c1-4-10-18-11-9-13(2)12-17-19-14(3)15-7-5-6-8-16(15)20-17/h5-7,13,16,18H,4,8-12H2,1-3H3
InChIKeyTXAUCJBPFNJQHP-UHFFFAOYSA-N
XLogP3.53
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminoethylimino)-N-(5-fluoro-2-methylhepta-2,4,6-trienyl)-N,6-dimethyl-4a,5,8,8a-tetrahydro-3H-quinolin-2-amine
CID 123498754
5-Methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 21336462
2-(Piperidin-3-ylmethyl)-1,2,6,7-tetrahydro-1,8-naphthyridine
CID 70126912
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
N-methyl-1-[6-[(Z)-3-methylidene-6-methyliminohept-4-en-2-yl]cyclohexa-1,5-dien-1-yl]ethanamine
CID 91045781
N-[[4-[(cyclohex-2-en-1-ylideneamino)methyl]cyclohexa-1,3-dien-1-yl]methyl]-1-methylcyclohexa-2,4-dien-1-amine
CID 123382168
2-cyclohexyl-5-methyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 123388354
N'-butyl-6-methyl-N-propan-2-ylcyclohexa-1,3-diene-1-carboximidamide
CID 124013843
(Z,7E)-N,5-dimethyl-7-[(5Z)-9-methyl-2-(3-methylpentyl)-1,4,8,9-tetrahydro-1,3-diazonin-7-ylidene]hept-3-en-1-amine
CID 134270603
1-[4-(5-methyl-4H-imidazol-2-yl)cyclohepta-1,3,6-trien-1-yl]-N-prop-2-enylbutan-1-amine
CID 135280912
(Z)-4-[[(Z)-1-(3-methylcyclohexa-2,4-dien-1-yl)-2-(methylideneamino)ethenyl]amino]-N'-(4-methylidenecyclohexyl)but-2-enimidamide
CID 156315143

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine?
The IUPAC name of 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine (CID 143397821) is 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine?
The canonical SMILES for 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine is CCCNCCC(C)CC1=NC2CC=CC=C2C(C)=N1.
What is the InChIKey of 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine?
The InChIKey is TXAUCJBPFNJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-10-18-11-9-13(2)12-17-19-14(3)15-7-5-6-8-16(15)20-17/h5-7,13,16,18H,4,8-12H2,1-3H3.
What are the key properties of 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine?
3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(4-methyl-8,8a-dihydroquinazolin-2-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 143397821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).