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

C12H23N3 — CID 43773808

IUPACN-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
SMILESCCC(NCCCn1ccnc1)C(C)C
InChIInChI=1S/C12H23N3/c1-4-12(11(2)3)14-6-5-8-15-9-7-13-10-15/h7,9-12,14H,4-6,8H2,1-3H3
InChIKeyLALOXNOYXVGCTC-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.30
Rot. Bonds7

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

N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine (PubChem CID 43773808) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
PubChem CID43773808
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine
SMILESCCC(NCCCn1ccnc1)C(C)C
InChIInChI=1S/C12H23N3/c1-4-12(11(2)3)14-6-5-8-15-9-7-13-10-15/h7,9-12,14H,4-6,8H2,1-3H3
InChIKeyLALOXNOYXVGCTC-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

1-bromo-N-(3-imidazol-1-ylpropyl)-3-methylbutan-2-amine
CID 107859114
2-N-(3-imidazol-1-ylpropyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
CID 54960832
1-cyclopropyl-N-(3-imidazol-1-ylpropyl)-2-methylpropan-1-amine
CID 115704915
N-(1-cyclopropylethyl)-3-imidazol-1-ylpropan-1-amine
CID 43126800
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
N-[(1R)-1-cyclopropylethyl]-3-imidazol-1-ylpropan-1-amine
CID 28993992
methyl 2-(3-imidazol-1-ylpropylamino)-3-methylbutanoate
CID 54961185
N-(1-cyclobutylethyl)-3-imidazol-1-ylpropan-1-amine
CID 115704905
6-imidazol-1-ylhexan-3-ol
CID 106802503
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine (CID 43773808) is N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine is CCC(NCCCn1ccnc1)C(C)C.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine?
The InChIKey is LALOXNOYXVGCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-12(11(2)3)14-6-5-8-15-9-7-13-10-15/h7,9-12,14H,4-6,8H2,1-3H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine?
N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-methylpentan-3-amine is sourced from PubChem (CID 43773808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).