1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine

C16H24N4 — CID 106553555

IUPAC1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1nccn1-c1ccccc1
InChIInChI=1S/C16H24N4/c1-13(2)15(17)9-11-19(3)16-18-10-12-20(16)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11,17H2,1-3H3
InChIKeyFMRYGRDCPNPUPX-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.68
Rot. Bonds6

About 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine

1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine (PubChem CID 106553555) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine
PubChem CID106553555
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)c1nccn1-c1ccccc1
InChIInChI=1S/C16H24N4/c1-13(2)15(17)9-11-19(3)16-18-10-12-20(16)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11,17H2,1-3H3
InChIKeyFMRYGRDCPNPUPX-UHFFFAOYSA-N
XLogP2.68
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553574
N-benzyl-N-methyl-1-phenylimidazol-2-amine
CID 21495235
1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine
CID 106553589
N-methyl-1-phenyl-N-(2-piperazin-1-ylethyl)imidazol-2-amine
CID 106552611
1-N,4-dimethyl-1-N-quinazolin-2-ylpentane-1,3-diamine
CID 114789544
2-N-methyl-2-N-[(1-phenylimidazol-2-yl)methyl]propane-1,2-diamine
CID 120840373
1-N,4-dimethyl-1-N-(6-methyl-2-pyridinyl)pentane-1,3-diamine
CID 115318155
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
(1-phenylimidazol-2-yl)methanamine;hydrochloride
CID 162422854
N-(1-phenylimidazol-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 106555586
1-N,4-dimethyl-1-N-(1-phenylpropan-2-yl)pentane-1,3-diamine
CID 113285453
3-N-(3-amino-4-methylpentyl)-3-N-methyl-1-phenylpyrazole-3,5-dicarboxamide;hydrochloride
CID 119659251

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine (CID 106553555) is 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine is CC(C)C(N)CCN(C)c1nccn1-c1ccccc1.
What is the InChIKey of 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine?
The InChIKey is FMRYGRDCPNPUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-13(2)15(17)9-11-19(3)16-18-10-12-20(16)14-7-5-4-6-8-14/h4-8,10,12-13,15H,9,11,17H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine?
1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine has a molecular weight of 272.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine is sourced from PubChem (CID 106553555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).