N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine

C10H17N3 — CID 104655741

IUPACN-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cnc[nH]1
InChIInChI=1S/C10H17N3/c1-3-4-5-9(2)12-7-10-6-11-8-13-10/h3,6,8-9,12H,1,4-5,7H2,2H3,(H,11,13)
InChIKeyUMXXFFUISCGZLY-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.85
Rot. Bonds6

About N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine

N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine (PubChem CID 104655741) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine
PubChem CID104655741
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine
SMILESC=CCCC(C)NCc1cnc[nH]1
InChIInChI=1S/C10H17N3/c1-3-4-5-9(2)12-7-10-6-11-8-13-10/h3,6,8-9,12H,1,4-5,7H2,2H3,(H,11,13)
InChIKeyUMXXFFUISCGZLY-UHFFFAOYSA-N
XLogP1.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115639983
1-N-ethyl-2-N-(1H-imidazol-5-ylmethyl)-1-N-methylpropane-1,2-diamine
CID 103110027
1-(2-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)propan-2-amine
CID 62761568
2-(1H-imidazol-5-ylmethylamino)-3-methylbutan-1-ol
CID 79254560
N-hex-5-en-2-yl-4-(1H-imidazol-5-yl)aniline
CID 113437865
1-(1,3-dimethylpyrazol-4-yl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 63379017
N-(1H-imidazol-5-ylmethyl)-1-(1-methylcyclopropyl)ethanamine
CID 63000739
(1R)-N-(1H-imidazol-5-ylmethyl)-1-phenylethanamine
CID 63714042
2-but-3-enoxy-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 115770529
1-(1H-imidazol-5-yl)-N-methylmethanamine
CID 20675588
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
(1S)-1-(4-chlorophenyl)-N-(1H-imidazol-5-ylmethyl)ethanamine
CID 81353258

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine (CID 104655741) is N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine is C=CCCC(C)NCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine?
The InChIKey is UMXXFFUISCGZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-3-4-5-9(2)12-7-10-6-11-8-13-10/h3,6,8-9,12H,1,4-5,7H2,2H3,(H,11,13).
What are the key properties of N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine?
N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)hex-5-en-2-amine is sourced from PubChem (CID 104655741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).