2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine

C9H20N4 — CID 114401749

IUPAC2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)NC1=NCCN1
InChIInChI=1S/C9H20N4/c1-7(2)5-8(6-10)13-9-11-3-4-12-9/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeySNLHYXUCCGBBLU-UHFFFAOYSA-N
MW184.29 g/mol
LogP-0.09
Rot. Bonds4

About 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine

2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine (PubChem CID 114401749) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine
PubChem CID114401749
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine
SMILESCC(C)CC(CN)NC1=NCCN1
InChIInChI=1S/C9H20N4/c1-7(2)5-8(6-10)13-9-11-3-4-12-9/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13)
InChIKeySNLHYXUCCGBBLU-UHFFFAOYSA-N
XLogP-0.09
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine?
The IUPAC name of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine (CID 114401749) is 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine is CC(C)CC(CN)NC1=NCCN1.
What is the InChIKey of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine?
The InChIKey is SNLHYXUCCGBBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-7(2)5-8(6-10)13-9-11-3-4-12-9/h7-8H,3-6,10H2,1-2H3,(H2,11,12,13).
What are the key properties of 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine?
2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine has a molecular weight of 184.29 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,5-dihydro-1H-imidazol-2-yl)-4-methylpentane-1,2-diamine is sourced from PubChem (CID 114401749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).