N,1-dipentyl-4,5-dihydroimidazol-2-amine

C13H27N3 — CID 70596750

IUPACN,1-dipentyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCNC1=NCCN1CCCCC
InChIInChI=1S/C13H27N3/c1-3-5-7-9-14-13-15-10-12-16(13)11-8-6-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKeyXUMLLNVCWKGZOT-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.63
Rot. Bonds8

About N,1-dipentyl-4,5-dihydroimidazol-2-amine

N,1-dipentyl-4,5-dihydroimidazol-2-amine (PubChem CID 70596750) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is N,1-dipentyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound NameN,1-dipentyl-4,5-dihydroimidazol-2-amine
PubChem CID70596750
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC NameN,1-dipentyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCNC1=NCCN1CCCCC
InChIInChI=1S/C13H27N3/c1-3-5-7-9-14-13-15-10-12-16(13)11-8-6-4-2/h3-12H2,1-2H3,(H,14,15)
InChIKeyXUMLLNVCWKGZOT-UHFFFAOYSA-N
XLogP2.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-heptyl-2-methyl-4,5-dihydroimidazole
CID 15395015
2-chloro-1-hexadecyl-4,5-dihydroimidazole
CID 139656970
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
4-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]butanenitrile
CID 130701760
N-(3-fluoropropyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 126979416
N-tert-butyl-1-[(4E,6E)-deca-4,6-dienyl]-4,5-dihydroimidazol-2-amine
CID 168820146
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethyl thiohypofluorite
CID 138502696
N-octyl-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 535175
N-ethyl-3-(2-methyl-4,5-dihydroimidazol-1-yl)propan-1-amine
CID 166698374
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 3016399

Frequently Asked Questions

What is the IUPAC name of N,1-dipentyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of N,1-dipentyl-4,5-dihydroimidazol-2-amine (CID 70596750) is N,1-dipentyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for N,1-dipentyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for N,1-dipentyl-4,5-dihydroimidazol-2-amine is CCCCCNC1=NCCN1CCCCC.
What is the InChIKey of N,1-dipentyl-4,5-dihydroimidazol-2-amine?
The InChIKey is XUMLLNVCWKGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-5-7-9-14-13-15-10-12-16(13)11-8-6-4-2/h3-12H2,1-2H3,(H,14,15).
What are the key properties of N,1-dipentyl-4,5-dihydroimidazol-2-amine?
N,1-dipentyl-4,5-dihydroimidazol-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dipentyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 70596750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).