N-undecan-2-ylquinazolin-4-amine

C19H29N3 — CID 86111387

IUPACN-undecan-2-ylquinazolin-4-amine
SMILESCCCCCCCCCC(C)Nc1ncnc2ccccc12
InChIInChI=1S/C19H29N3/c1-3-4-5-6-7-8-9-12-16(2)22-19-17-13-10-11-14-18(17)20-15-21-19/h10-11,13-16H,3-9,12H2,1-2H3,(H,20,21,22)
InChIKeyQINDYQSTDOKSEZ-UHFFFAOYSA-N
MW299.46 g/mol
LogP5.57
Rot. Bonds10

About N-undecan-2-ylquinazolin-4-amine

N-undecan-2-ylquinazolin-4-amine (PubChem CID 86111387) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is N-undecan-2-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-undecan-2-ylquinazolin-4-amine
PubChem CID86111387
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC NameN-undecan-2-ylquinazolin-4-amine
SMILESCCCCCCCCCC(C)Nc1ncnc2ccccc12
InChIInChI=1S/C19H29N3/c1-3-4-5-6-7-8-9-12-16(2)22-19-17-13-10-11-14-18(17)20-15-21-19/h10-11,13-16H,3-9,12H2,1-2H3,(H,20,21,22)
InChIKeyQINDYQSTDOKSEZ-UHFFFAOYSA-N
XLogP5.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.46
LogP ≤ 55.57
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

N-heptan-2-ylquinazolin-4-amine
CID 54950682
2-N-methyl-4-N-octan-2-ylquinazoline-2,4-diamine
CID 80782825
4-(heptan-2-ylamino)quinazoline-7-carboxylic acid
CID 63263541
N-(4-methylsulfonylbutan-2-yl)quinazolin-4-amine
CID 133386758
6-N,5-dimethyl-4-N-octan-2-ylpyrimidine-4,6-diamine
CID 80800865
2-N-octan-2-ylpyridine-2,3-diamine
CID 61476406
2-(quinazolin-4-ylamino)pentanoic acid
CID 3356607
4-methyl-3-N-quinazolin-4-ylpentane-1,3-diamine
CID 114178266
N-(1-chloro-3-methylbutan-2-yl)quinazolin-4-amine
CID 79266861
N-heptan-2-yl-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80897379
N-hexan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 13038322
N-heptan-2-ylcinnolin-4-amine
CID 63587119

Frequently Asked Questions

What is the IUPAC name of N-undecan-2-ylquinazolin-4-amine?
The IUPAC name of N-undecan-2-ylquinazolin-4-amine (CID 86111387) is N-undecan-2-ylquinazolin-4-amine.
What is the SMILES notation for N-undecan-2-ylquinazolin-4-amine?
The canonical SMILES for N-undecan-2-ylquinazolin-4-amine is CCCCCCCCCC(C)Nc1ncnc2ccccc12.
What is the InChIKey of N-undecan-2-ylquinazolin-4-amine?
The InChIKey is QINDYQSTDOKSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3/c1-3-4-5-6-7-8-9-12-16(2)22-19-17-13-10-11-14-18(17)20-15-21-19/h10-11,13-16H,3-9,12H2,1-2H3,(H,20,21,22).
What are the key properties of N-undecan-2-ylquinazolin-4-amine?
N-undecan-2-ylquinazolin-4-amine has a molecular weight of 299.46 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-undecan-2-ylquinazolin-4-amine is sourced from PubChem (CID 86111387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).