N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine

C9H15N5 — CID 114401174

IUPACN-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1c[nH]c(CCCNC2=NCCN2)n1
InChIInChI=1S/C9H15N5/c1(2-8-10-4-5-11-8)3-12-9-13-6-7-14-9/h4-5H,1-3,6-7H2,(H,10,11)(H2,12,13,14)
InChIKeyXAHPLCWEEKAAFH-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.11
Rot. Bonds4

About N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine

N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114401174) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114401174
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESc1c[nH]c(CCCNC2=NCCN2)n1
InChIInChI=1S/C9H15N5/c1(2-8-10-4-5-11-8)3-12-9-13-6-7-14-9/h4-5H,1-3,6-7H2,(H,10,11)(H2,12,13,14)
InChIKeyXAHPLCWEEKAAFH-UHFFFAOYSA-N
XLogP-0.11
TPSA65.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(1H-imidazol-2-yl)-N-methylpropan-1-amine
CID 142295385
N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
N-[3-(1H-benzimidazol-2-yl)propyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110918605
2-N-[3-(1H-imidazol-2-yl)propyl]-1,3-thiazole-2,5-diamine
CID 102769078
3,5,6-trichloro-N-[3-(1H-imidazol-2-yl)propyl]pyridin-2-amine
CID 114156826
1-N-(4,5-dihydro-1H-imidazol-2-yl)pentane-1,4-diamine
CID 134386603
4-chloro-N-[3-(1H-imidazol-2-yl)propyl]-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 106196401
1-cyclobutyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 116657997
5,6-diethyl-N-[3-(1H-imidazol-2-yl)propyl]-1,2,4-triazin-3-amine
CID 105362857
2-butyl-1H-imidazole;cyclohexane
CID 173413359
N-[2-(3,5-difluorophenyl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601400
N-[3-(1H-imidazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 90871760

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine (CID 114401174) is N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine is c1c[nH]c(CCCNC2=NCCN2)n1.
What is the InChIKey of N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is XAHPLCWEEKAAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1(2-8-10-4-5-11-8)3-12-9-13-6-7-14-9/h4-5H,1-3,6-7H2,(H,10,11)(H2,12,13,14).
What are the key properties of N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 193.25 g/mol, XLogP of -0.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-imidazol-2-yl)propyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114401174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).