2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine

C14H21N3 — CID 133460830

IUPAC2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC/C=C/CCNc1nc(C)nc2c1CCCC2
InChIInChI=1S/C14H21N3/c1-3-4-7-10-15-14-12-8-5-6-9-13(12)16-11(2)17-14/h3-4H,5-10H2,1-2H3,(H,15,16,17)/b4-3+
InChIKeyIBFJEAWNILOYDJ-ONEGZZNKSA-N
MW231.34 g/mol
LogP3.04
Rot. Bonds4

About 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine

2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 133460830) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID133460830
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESC/C=C/CCNc1nc(C)nc2c1CCCC2
InChIInChI=1S/C14H21N3/c1-3-4-7-10-15-14-12-8-5-6-9-13(12)16-11(2)17-14/h3-4H,5-10H2,1-2H3,(H,15,16,17)/b4-3+
InChIKeyIBFJEAWNILOYDJ-ONEGZZNKSA-N
XLogP3.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)ethane-1,2-diamine
CID 83833536
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190766
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461644
N-[(1-methoxycyclobutyl)methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462458
2-methyl-N-[(4-methyl-1H-benzimidazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462208
N-(3-imidazol-1-yl-2-methylpropyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 136522247
2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 139001440
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
1-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]cyclobutane-1-sulfonamide
CID 138053509
2-methyl-N-[(4-methylsulfanyloxan-4-yl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133461264
2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]-1-morpholin-4-ylethanone
CID 133462400

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine (CID 133460830) is 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine is C/C=C/CCNc1nc(C)nc2c1CCCC2.
What is the InChIKey of 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is IBFJEAWNILOYDJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H21N3/c1-3-4-7-10-15-14-12-8-5-6-9-13(12)16-11(2)17-14/h3-4H,5-10H2,1-2H3,(H,15,16,17)/b4-3+.
What are the key properties of 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine?
2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 231.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pent-3-enyl]-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 133460830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).