(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine

C12H23N3 — CID 28993669

IUPAC(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
SMILESCCC[C@@H](C)CNCCCn1ccnc1
InChIInChI=1S/C12H23N3/c1-3-5-12(2)10-13-6-4-8-15-9-7-14-11-15/h7,9,11-13H,3-6,8,10H2,1-2H3/t12-/m1/s1
InChIKeyYLMRXAARBKBCGV-GFCCVEGCSA-N
MW209.34 g/mol
LogP2.30
Rot. Bonds8

About (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine

(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine (PubChem CID 28993669) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine.

Molecular Properties

Compound Name(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
PubChem CID28993669
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
SMILESCCC[C@@H](C)CNCCCn1ccnc1
InChIInChI=1S/C12H23N3/c1-3-5-12(2)10-13-6-4-8-15-9-7-14-11-15/h7,9,11-13H,3-6,8,10H2,1-2H3/t12-/m1/s1
InChIKeyYLMRXAARBKBCGV-GFCCVEGCSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.30
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

2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
6-imidazol-1-yl-3-methylhexan-1-ol
CID 144712002
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
CID 43773808
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
1-(5-imidazol-1-ylpentan-2-yl)imidazole
CID 174937181
6-imidazol-1-ylhexan-3-ol
CID 106802503
sodium;1-butylimidazole;bromide
CID 175480877

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine?
The IUPAC name of (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine (CID 28993669) is (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine.
What is the SMILES notation for (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine?
The canonical SMILES for (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine is CCC[C@@H](C)CNCCCn1ccnc1.
What is the InChIKey of (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine?
The InChIKey is YLMRXAARBKBCGV-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H23N3/c1-3-5-12(2)10-13-6-4-8-15-9-7-14-11-15/h7,9,11-13H,3-6,8,10H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine?
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine is sourced from PubChem (CID 28993669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).