N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine

C16H30N4 — CID 131922331

IUPACN'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCc1nc(CN(C)CCN(C)C2CCCC2)n(C)c1C
InChIInChI=1S/C16H30N4/c1-13-14(2)20(5)16(17-13)12-18(3)10-11-19(4)15-8-6-7-9-15/h15H,6-12H2,1-5H3
InChIKeyYUXJKXSMABWUAR-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.34
Rot. Bonds6

About N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine

N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine (PubChem CID 131922331) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine
PubChem CID131922331
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine
SMILESCc1nc(CN(C)CCN(C)C2CCCC2)n(C)c1C
InChIInChI=1S/C16H30N4/c1-13-14(2)20(5)16(17-13)12-18(3)10-11-19(4)15-8-6-7-9-15/h15H,6-12H2,1-5H3
InChIKeyYUXJKXSMABWUAR-UHFFFAOYSA-N
XLogP2.34
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine (CID 131922331) is N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine is Cc1nc(CN(C)CCN(C)C2CCCC2)n(C)c1C.
What is the InChIKey of N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine?
The InChIKey is YUXJKXSMABWUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-13-14(2)20(5)16(17-13)12-18(3)10-11-19(4)15-8-6-7-9-15/h15H,6-12H2,1-5H3.
What are the key properties of N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine?
N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N,N'-dimethyl-N-[(1,4,5-trimethylimidazol-2-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 131922331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).