N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine

C14H26N4 — CID 66149040

IUPACN-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C1CCCN(CC)C1
InChIInChI=1S/C14H26N4/c1-3-7-15-9-14-10-16-12-18(14)13-6-5-8-17(4-2)11-13/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyZPWBTEJFQQARKI-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.04
Rot. Bonds6

About N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine

N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 66149040) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID66149040
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cncn1C1CCCN(CC)C1
InChIInChI=1S/C14H26N4/c1-3-7-15-9-14-10-16-12-18(14)13-6-5-8-17(4-2)11-13/h10,12-13,15H,3-9,11H2,1-2H3
InChIKeyZPWBTEJFQQARKI-UHFFFAOYSA-N
XLogP2.04
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(1-methylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147577
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethylpiperidin-3-amine
CID 66162353
N-[[3-(1,1-dioxothiolan-3-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66147330
N-[[3-(2-methylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 66147546
1-[3-(1-benzylpiperidin-3-yl)imidazol-4-yl]-N-methylmethanamine
CID 66149343
2-amino-2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]ethanol
CID 114704740
2-[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]morpholine
CID 114718728
N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152226
2-methoxy-N-[[3-(oxan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66152017
N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151948
N-[(3-cyclopropylimidazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 114126843

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine (CID 66149040) is N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cncn1C1CCCN(CC)C1.
What is the InChIKey of N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is ZPWBTEJFQQARKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-7-15-9-14-10-16-12-18(14)13-6-5-8-17(4-2)11-13/h10,12-13,15H,3-9,11H2,1-2H3.
What are the key properties of N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine?
N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-ethylpiperidin-3-yl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 66149040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).