cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane

C23H50N2 — CID 143080326

IUPACcyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
SMILESC1CCCC1.CC.CC[C@H](N)CC1CCCCC1.NC1CCCCC1
InChIInChI=1S/C10H21N.C6H13N.C5H10.C2H6/c1-2-10(11)8-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-2/h9-10H,2-8,11H2,1H3;6H,1-5,7H2;1-5H2;1-2H3/t10-;;;/m0.../s1
InChIKeyTXJKQVVWDFGLTR-KAFJHEIMSA-N
MW354.67 g/mol
LogP6.95
Rot. Bonds3

About cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane

cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane (PubChem CID 143080326) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane.

Molecular Properties

Compound Namecyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
PubChem CID143080326
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC Namecyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
SMILESC1CCCC1.CC.CC[C@H](N)CC1CCCCC1.NC1CCCCC1
InChIInChI=1S/C10H21N.C6H13N.C5H10.C2H6/c1-2-10(11)8-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-2/h9-10H,2-8,11H2,1H3;6H,1-5,7H2;1-5H2;1-2H3/t10-;;;/m0.../s1
InChIKeyTXJKQVVWDFGLTR-KAFJHEIMSA-N
XLogP6.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-cyclopentylbutan-2-amine
CID 58736664
cyclopentanamine;hexan-3-amine
CID 143368714
1,3-dicyclopentylpropan-2-amine
CID 58122660
1-cycloheptyl-3-ethylpentan-2-amine
CID 105014024
1-cyclobutyl-4-ethylhexan-2-amine
CID 103169365
1-cycloheptylheptan-2-amine
CID 115837607
1-cycloheptyl-4-cyclohexylbutan-2-amine
CID 114193048
(2S)-1-cyclohexyl-3-ethylsulfinylpropan-2-amine
CID 10536763
1-cyclopentyldecan-2-amine
CID 115835607
cycloheptanamine;ethanol
CID 158239152
cyclohexanamine;ethanol
CID 159108869
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane?
The IUPAC name of cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane (CID 143080326) is cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane.
What is the SMILES notation for cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane?
The canonical SMILES for cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane is C1CCCC1.CC.CC[C@H](N)CC1CCCCC1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane?
The InChIKey is TXJKQVVWDFGLTR-KAFJHEIMSA-N. The full InChI is InChI=1S/C10H21N.C6H13N.C5H10.C2H6/c1-2-10(11)8-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6;1-2-4-5-3-1;1-2/h9-10H,2-8,11H2,1H3;6H,1-5,7H2;1-5H2;1-2H3/t10-;;;/m0.../s1.
What are the key properties of cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane?
cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane has a molecular weight of 354.67 g/mol, XLogP of 6.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane is sourced from PubChem (CID 143080326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).