(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine

C14H25N3 — CID 81394730

IUPAC(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CN[C@@H](C)C1CCCC1
InChIInChI=1S/C14H25N3/c1-3-9-17-10-8-15-14(17)11-16-12(2)13-6-4-5-7-13/h8,10,12-13,16H,3-7,9,11H2,1-2H3/t12-/m0/s1
InChIKeySLLBVPDQBHNXBT-LBPRGKRZSA-N
MW235.37 g/mol
LogP2.96
Rot. Bonds6

About (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine

(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine (PubChem CID 81394730) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
PubChem CID81394730
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
SMILESCCCn1ccnc1CN[C@@H](C)C1CCCC1
InChIInChI=1S/C14H25N3/c1-3-9-17-10-8-15-14(17)11-16-12(2)13-6-4-5-7-13/h8,10,12-13,16H,3-7,9,11H2,1-2H3/t12-/m0/s1
InChIKeySLLBVPDQBHNXBT-LBPRGKRZSA-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

(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
1-cyclohexyl-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79751471
1-cyclobutyl-N-methyl-2-(1-propylimidazol-2-yl)ethanamine
CID 79760970
(1S)-1-cycloheptyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 81391865
N-[(1-methylimidazol-2-yl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 63292117
1-cyclohexyl-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 105012316
N-[(1-butylimidazol-2-yl)methyl]cyclohexanamine
CID 46784421
3-methyl-N-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 62955948
N-[(1-propylimidazol-2-yl)methyl]oxan-4-amine
CID 62957533
(1S)-1-cyclohexyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81384071
(1S)-1-cyclopentyl-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 81395391
(1R)-1-(4-chlorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81353111

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine (CID 81394730) is (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine is CCCn1ccnc1CN[C@@H](C)C1CCCC1.
What is the InChIKey of (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
The InChIKey is SLLBVPDQBHNXBT-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-9-17-10-8-15-14(17)11-16-12(2)13-6-4-5-7-13/h8,10,12-13,16H,3-7,9,11H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine?
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine 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 (1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 81394730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).