N-hexyl-4,5-dihydro-1H-imidazol-2-amine

C9H19N3 — CID 71402010

IUPACN-hexyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCNC1=NCCN1
InChIInChI=1S/C9H19N3/c1-2-3-4-5-6-10-9-11-7-8-12-9/h2-8H2,1H3,(H2,10,11,12)
InChIKeyCTJHJWVMGMLAIG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.12
Rot. Bonds5

About N-hexyl-4,5-dihydro-1H-imidazol-2-amine

N-hexyl-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 71402010) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-hexyl-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-hexyl-4,5-dihydro-1H-imidazol-2-amine
PubChem CID71402010
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-hexyl-4,5-dihydro-1H-imidazol-2-amine
SMILESCCCCCCNC1=NCCN1
InChIInChI=1S/C9H19N3/c1-2-3-4-5-6-10-9-11-7-8-12-9/h2-8H2,1H3,(H2,10,11,12)
InChIKeyCTJHJWVMGMLAIG-UHFFFAOYSA-N
XLogP1.12
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4,4-dimethylhexyl)-4,5-dihydro-1H-imidazol-2-amine
CID 130344576
N'-(4,5-dihydro-1H-imidazol-2-yl)propane-1,3-diamine
CID 22594256
1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
CID 134386603
N-(4,5-dihydro-1H-imidazol-2-yl)octadecanamide
CID 18996483
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 114401726
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
CID 129144601
3-(4,5-dihydro-1H-imidazol-2-ylamino)propane-1-sulfonamide
CID 115606290
N-but-1-en-2-yl-4-methylpentan-1-amine;1-N',1-N'-dimethyl-1-N-(4-methylpentyl)ethene-1,1-diamine;N-(4-methylpentyl)-4,5-dihydro-1H-imidazol-2-amine;N-(4-methylpentyl)hept-1-en-2-amine
CID 161327907
N-(3-morpholin-4-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
CID 115606272
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
CID 114401174
N-(2-methylnonan-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 167233694
N-prop-2-ynyl-4,5-dihydro-1H-imidazol-2-amine
CID 89121666

Frequently Asked Questions

What is the IUPAC name of N-hexyl-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-hexyl-4,5-dihydro-1H-imidazol-2-amine (CID 71402010) is N-hexyl-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-hexyl-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-hexyl-4,5-dihydro-1H-imidazol-2-amine is CCCCCCNC1=NCCN1.
What is the InChIKey of N-hexyl-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is CTJHJWVMGMLAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-3-4-5-6-10-9-11-7-8-12-9/h2-8H2,1H3,(H2,10,11,12).
What are the key properties of N-hexyl-4,5-dihydro-1H-imidazol-2-amine?
N-hexyl-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 169.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 71402010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).