4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine

C21H40N2O2 — CID 160793218

IUPAC4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine
SMILESCC(C)(C)NC1CC=CCC1.CC(C)(C)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2.C10H19N/c1-11(2,3)12-9-6-4-8(5-7-9)10(13)14;1-10(2,3)11-9-7-5-4-6-8-9/h8-9,12H,4-7H2,1-3H3,(H,13,14);4-5,9,11H,6-8H2,1-3H3
InChIKeySCCDPTRUQUUQMV-UHFFFAOYSA-N
MW352.56 g/mol
LogP4.50
Rot. Bonds3

About 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine

4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine (PubChem CID 160793218) has the molecular formula C21H40N2O2 and a molecular weight of 352.56 g/mol. Its IUPAC name is 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine
PubChem CID160793218
Molecular FormulaC21H40N2O2
Molecular Weight352.56 g/mol
Exact Mass352.31
IUPAC Name4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine
SMILESCC(C)(C)NC1CC=CCC1.CC(C)(C)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C11H21NO2.C10H19N/c1-11(2,3)12-9-6-4-8(5-7-9)10(13)14;1-10(2,3)11-9-7-5-4-6-8-9/h8-9,12H,4-7H2,1-3H3,(H,13,14);4-5,9,11H,6-8H2,1-3H3
InChIKeySCCDPTRUQUUQMV-UHFFFAOYSA-N
XLogP4.50
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.56
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine 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

4-[(1-Prop-2-enylcyclopentyl)methylamino]cyclohexane-1-carboxylic acid
CID 122035113
CID 67704562
CID 67704562
Ethane;4-(methylamino)cyclohexane-1-carboxylic acid;prop-1-ene
CID 143285919
4-(Propan-2-ylamino)cyclohexane-1-carboxylic acid;1-[4-(propan-2-ylamino)cyclohexyl]ethenol
CID 159175696
Ethyl 4-(cyclohex-3-en-1-ylmethylamino)cyclohexane-1-carboxylate
CID 54867005
4-[[(E)-but-2-enyl]amino]cyclohexane-1-carboxylic acid
CID 60808094
4-(Cyclohex-3-ene-1-carbonylamino)cyclohexane-1-carboxylic acid
CID 60808865
4-[(2-Cyclopent-2-en-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 60809027
4-(Cyclohex-3-en-1-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61950986
4-(But-3-en-2-ylamino)cyclohexane-1-carboxylic acid
CID 62383799
4-(Pent-4-enoylamino)cyclohexane-1-carboxylic acid
CID 62685687
4-[[2-(Cyclohexen-1-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 63564216

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine?
The IUPAC name of 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine (CID 160793218) is 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine?
The canonical SMILES for 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine is CC(C)(C)NC1CC=CCC1.CC(C)(C)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine?
The InChIKey is SCCDPTRUQUUQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2.C10H19N/c1-11(2,3)12-9-6-4-8(5-7-9)10(13)14;1-10(2,3)11-9-7-5-4-6-8-9/h8-9,12H,4-7H2,1-3H3,(H,13,14);4-5,9,11H,6-8H2,1-3H3.
What are the key properties of 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine?
4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine has a molecular weight of 352.56 g/mol, XLogP of 4.50, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)cyclohexane-1-carboxylic acid;N-tert-butylcyclohex-3-en-1-amine is sourced from PubChem (CID 160793218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).