(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

C13H23N3 — CID 81387419

IUPAC(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1[nH]cnc1CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H23N3/c1-10(12-6-4-3-5-7-12)14-8-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeySGESJORGOZINJF-JTQLQIEISA-N
MW221.35 g/mol
LogP2.78
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (PubChem CID 81387419) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
PubChem CID81387419
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
SMILESCc1[nH]cnc1CN[C@@H](C)C1CCCCC1
InChIInChI=1S/C13H23N3/c1-10(12-6-4-3-5-7-12)14-8-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-/m0/s1
InChIKeySGESJORGOZINJF-JTQLQIEISA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62742495
1-(2-bicyclo[2.2.1]heptanyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine
CID 62747079
(1R)-1-cycloheptyl-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 81391849
2-[(1-cyclohexylethylamino)methyl]-6-methylpyridin-3-ol
CID 79032200
(1R)-1-cycloheptyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 113449658
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108
(1R)-1-cyclohexyl-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 94912990
(1R)-1-cyclohexyl-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 81384667
(1S)-1-cyclohexyl-N-[(3,4-dimethoxy-2-pyridinyl)methyl]ethanamine
CID 103172633
(1S)-1-cycloheptyl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81391282
(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
2-[[[(1S)-1-cyclohexylethyl]amino]methyl]pyridine-3-carboxylic acid
CID 114198751

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine (CID 81387419) is (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is Cc1[nH]cnc1CN[C@@H](C)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
The InChIKey is SGESJORGOZINJF-JTQLQIEISA-N. The full InChI is InChI=1S/C13H23N3/c1-10(12-6-4-3-5-7-12)14-8-13-11(2)15-9-16-13/h9-10,12,14H,3-8H2,1-2H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 81387419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).