4-(hept-6-enylamino)cyclohexane-1-carboxylic acid

C14H25NO2 — CID 107007791

IUPAC4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
SMILESC=CCCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-11-15-13-9-7-12(8-10-13)14(16)17/h2,12-13,15H,1,3-11H2,(H,16,17)
InChIKeyKZVCLMJUSBKNCT-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.97
Rot. Bonds8

About 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid

4-(hept-6-enylamino)cyclohexane-1-carboxylic acid (PubChem CID 107007791) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
PubChem CID107007791
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name4-(hept-6-enylamino)cyclohexane-1-carboxylic acid
SMILESC=CCCCCCNC1CCC(C(=O)O)CC1
InChIInChI=1S/C14H25NO2/c1-2-3-4-5-6-11-15-13-9-7-12(8-10-13)14(16)17/h2,12-13,15H,1,3-11H2,(H,16,17)
InChIKeyKZVCLMJUSBKNCT-UHFFFAOYSA-N
XLogP2.97
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hept-6-enylcyclobutanamine
CID 107006782
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
N-hept-6-enyloxan-4-amine
CID 107006595
4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60808261
4-(5-phenylpentylamino)cyclohexane-1-carboxylic acid
CID 122030961
4-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60808417
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
4-(2-chloroprop-2-enylamino)cyclohexane-1-carboxylic acid
CID 60808095
4-[3-(cyclopropylamino)propanoylamino]cyclohexane-1-carboxylic acid
CID 61161235
4-(2-cyclopentylethylamino)cyclohexane-1-carboxylic acid
CID 115149137
4-but-3-enoxycyclohexane-1-carboxylic acid
CID 114451318
N-[3-(cyclopropylamino)propyl]but-3-enamide
CID 62677792

Frequently Asked Questions

What is the IUPAC name of 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid (CID 107007791) is 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid is C=CCCCCCNC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid?
The InChIKey is KZVCLMJUSBKNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-3-4-5-6-11-15-13-9-7-12(8-10-13)14(16)17/h2,12-13,15H,1,3-11H2,(H,16,17).
What are the key properties of 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid?
4-(hept-6-enylamino)cyclohexane-1-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hept-6-enylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107007791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).