(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine

C9H19N — CID 124508943

IUPAC(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
SMILESC[C@H]1CCC[C@H]([C@H](C)N)C1
InChIInChI=1S/C9H19N/c1-7-4-3-5-9(6-7)8(2)10/h7-9H,3-6,10H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyDJOVWJMYDZPCSB-CIUDSAMLSA-N
MW141.26 g/mol
LogP2.16
Rot. Bonds1

About (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine

(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine (PubChem CID 124508943) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
PubChem CID124508943
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine
SMILESC[C@H]1CCC[C@H]([C@H](C)N)C1
InChIInChI=1S/C9H19N/c1-7-4-3-5-9(6-7)8(2)10/h7-9H,3-6,10H2,1-2H3/t7-,8-,9-/m0/s1
InChIKeyDJOVWJMYDZPCSB-CIUDSAMLSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylcyclohexyl)ethanamine
CID 54595475
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132
6-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104991953
3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104992100
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
1-[3-(1-aminoethyl)cyclopentyl]ethanamine
CID 68748757
4-amino-3-(3-methylcyclohexyl)pentan-1-ol
CID 66090063
1-(1-chloro-2-methylpropyl)-3-methylcyclohexane
CID 79298659
cis-(1R,3S)-3-(1-aminoethyl)cyclohexane-1-carboxylic acid
CID 67863666
2-amino-2-(3-methylcyclohexyl)acetamide
CID 64990710
1-methyl-3-(3-methylbut-3-en-2-yl)cyclohexane
CID 139213261
[cyclobutyl-(3-methylcyclohexyl)methyl]hydrazine
CID 105210413

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine?
The IUPAC name of (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine (CID 124508943) is (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine.
What is the SMILES notation for (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine?
The canonical SMILES for (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine is C[C@H]1CCC[C@H]([C@H](C)N)C1.
What is the InChIKey of (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine?
The InChIKey is DJOVWJMYDZPCSB-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H19N/c1-7-4-3-5-9(6-7)8(2)10/h7-9H,3-6,10H2,1-2H3/t7-,8-,9-/m0/s1.
What are the key properties of (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine?
(1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine has a molecular weight of 141.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(1S,3S)-3-methylcyclohexyl]ethanamine is sourced from PubChem (CID 124508943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).