N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine

C17H24N4 — CID 114788671

IUPACN'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESNCCCN(c1ncc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C17H24N4/c18-11-6-12-21(15-8-2-1-3-9-15)17-19-13-14-7-4-5-10-16(14)20-17/h4-5,7,10,13,15H,1-3,6,8-9,11-12,18H2
InChIKeyYRIXSFPHZPDPGQ-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.12
Rot. Bonds5

About N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine

N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine (PubChem CID 114788671) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
PubChem CID114788671
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC NameN'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine
SMILESNCCCN(c1ncc2ccccc2n1)C1CCCCC1
InChIInChI=1S/C17H24N4/c18-11-6-12-21(15-8-2-1-3-9-15)17-19-13-14-7-4-5-10-16(14)20-17/h4-5,7,10,13,15H,1-3,6,8-9,11-12,18H2
InChIKeyYRIXSFPHZPDPGQ-UHFFFAOYSA-N
XLogP3.12
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
CID 114789865
N'-cyclopentyl-N'-(5-iodopyrimidin-2-yl)propane-1,3-diamine
CID 116648233
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cycloheptylpropane-1,3-diamine
CID 106997333
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N'-cyclopentylpropane-1,3-diamine
CID 106997331
N'-ethyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788666
N'-propyl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788667
N'-propan-2-yl-N'-quinazolin-2-ylpropane-1,3-diamine
CID 114788668
N'-(1,3-benzoxazol-2-yl)-N'-cyclobutylpropane-1,3-diamine
CID 102874494
N'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N'-cyclohexyl-N'-pyridin-4-ylpropane-1,3-diamine
CID 43137168
N'-cyclopropyl-N'-(3-methylquinolin-2-yl)propane-1,3-diamine
CID 55174769

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine (CID 114788671) is N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine is NCCCN(c1ncc2ccccc2n1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine?
The InChIKey is YRIXSFPHZPDPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c18-11-6-12-21(15-8-2-1-3-9-15)17-19-13-14-7-4-5-10-16(14)20-17/h4-5,7,10,13,15H,1-3,6,8-9,11-12,18H2.
What are the key properties of N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine?
N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine has a molecular weight of 284.41 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-quinazolin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 114788671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).