(1S)-1-(4,4-dimethylcyclohexyl)ethanamine

C10H21N — CID 65391673

IUPAC(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
SMILESC[C@H](N)C1CCC(C)(C)CC1
InChIInChI=1S/C10H21N/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyHWPNUFDGVUVHSF-QMMMGPOBSA-N
MW155.28 g/mol
LogP2.55
Rot. Bonds1

About (1S)-1-(4,4-dimethylcyclohexyl)ethanamine

(1S)-1-(4,4-dimethylcyclohexyl)ethanamine (PubChem CID 65391673) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is (1S)-1-(4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
PubChem CID65391673
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name(1S)-1-(4,4-dimethylcyclohexyl)ethanamine
SMILESC[C@H](N)C1CCC(C)(C)CC1
InChIInChI=1S/C10H21N/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9H,4-7,11H2,1-3H3/t8-/m0/s1
InChIKeyHWPNUFDGVUVHSF-QMMMGPOBSA-N
XLogP2.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclopropylethanamine
CID 519239
1-(4,4-dimethylcycloheptyl)-2-methylpropan-1-amine
CID 79299029
1-[1-(4,4-dimethylcycloheptyl)piperidin-4-yl]ethanamine
CID 65085464
2-cyclopropyl-1-(4,4-dimethylcyclohexyl)ethanamine
CID 65390231
1,1-dimethyl-4-propan-2-ylcyclohexane;propan-2-ylcyclohexane
CID 165006340
4-(4,4-dimethylcyclohexyl)-3-methylbutan-2-amine
CID 130596399
(1S)-1-cyclobutylethanamine;hydron;chloride
CID 118957169
1-[1-(3,3-dimethylcyclopentyl)pyrrolidin-3-yl]ethanamine
CID 103975580
1-[3-(1-aminoethyl)cyclopentyl]ethanamine
CID 68748757
tert-butyl 2-amino-2-(4,4-dimethylcyclohexyl)acetate
CID 167731611
1-(thian-4-yl)ethanamine
CID 82417750
1-[1-(2,2-dimethylcyclopentyl)piperidin-4-yl]ethanamine
CID 79863118

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of (1S)-1-(4,4-dimethylcyclohexyl)ethanamine (CID 65391673) is (1S)-1-(4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for (1S)-1-(4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for (1S)-1-(4,4-dimethylcyclohexyl)ethanamine is C[C@H](N)C1CCC(C)(C)CC1.
What is the InChIKey of (1S)-1-(4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is HWPNUFDGVUVHSF-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H21N/c1-8(11)9-4-6-10(2,3)7-5-9/h8-9H,4-7,11H2,1-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(4,4-dimethylcyclohexyl)ethanamine?
(1S)-1-(4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 155.28 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 65391673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).