N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine

C14H25N3 — CID 66129391

IUPACN-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1CNCC1(C)CCCC1
InChIInChI=1S/C14H25N3/c1-3-8-17-12-16-10-13(17)9-15-11-14(2)6-4-5-7-14/h10,12,15H,3-9,11H2,1-2H3
InChIKeySENJFQWGBKNCTA-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds6

About N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine

N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine (PubChem CID 66129391) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
PubChem CID66129391
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
SMILESCCCn1cncc1CNCC1(C)CCCC1
InChIInChI=1S/C14H25N3/c1-3-8-17-12-16-10-13(17)9-15-11-14(2)6-4-5-7-14/h10,12,15H,3-9,11H2,1-2H3
InChIKeySENJFQWGBKNCTA-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
CID 66133760
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
N-[(1-methylcyclohexyl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 103753099
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937
3-ethyl-1-[(3-propylimidazol-4-yl)methylamino]pentan-2-ol
CID 106284688
1-(1,1-dioxothiolan-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 81038867
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
[4-[[(3-propylimidazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107230142
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
N-[(3-butylimidazol-4-yl)methyl]ethanamine
CID 66146486

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine (CID 66129391) is N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine is CCCn1cncc1CNCC1(C)CCCC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
The InChIKey is SENJFQWGBKNCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-8-17-12-16-10-13(17)9-15-11-14(2)6-4-5-7-14/h10,12,15H,3-9,11H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine?
N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine has a molecular weight of 235.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine is sourced from PubChem (CID 66129391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).