N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine

C11H21N3 — CID 43749599

IUPACN-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
SMILESCCCCCNC(C)Cn1ccnc1
InChIInChI=1S/C11H21N3/c1-3-4-5-6-13-11(2)9-14-8-7-12-10-14/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyQQDJNERYIFLSBO-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.05
Rot. Bonds7

About N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine

N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine (PubChem CID 43749599) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
PubChem CID43749599
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
SMILESCCCCCNC(C)Cn1ccnc1
InChIInChI=1S/C11H21N3/c1-3-4-5-6-13-11(2)9-14-8-7-12-10-14/h7-8,10-11,13H,3-6,9H2,1-2H3
InChIKeyQQDJNERYIFLSBO-UHFFFAOYSA-N
XLogP2.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
methyl 4-(1-imidazol-1-ylpropan-2-ylamino)butanoate
CID 61479528
N'-hydroxy-4-(1-imidazol-1-ylpropan-2-ylamino)butanimidamide
CID 77030707
N-ethyl-3-(1-imidazol-1-ylpropan-2-ylamino)propanamide
CID 62324787
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
ethyl 3-(1-imidazol-1-ylpropan-2-ylamino)propanoate
CID 61479265
1-ethylimidazole;octane
CID 145297576
1-imidazol-1-yl-N-[(1-propylpyrrol-3-yl)methyl]propan-2-amine
CID 66415546
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355
1-(diethylamino)-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
CID 54958866
1-(2-propylsulfanyldecyl)imidazole
CID 21397909

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine (CID 43749599) is N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine is CCCCCNC(C)Cn1ccnc1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine?
The InChIKey is QQDJNERYIFLSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-6-13-11(2)9-14-8-7-12-10-14/h7-8,10-11,13H,3-6,9H2,1-2H3.
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine?
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine is sourced from PubChem (CID 43749599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).