N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine

C14H25N — CID 8024969

IUPACN-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine
SMILESC1=C(CCNC2CCCCC2)CCCC1
InChIInChI=1S/C14H25N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h7,14-15H,1-6,8-12H2
InChIKeyCYABKDAJZZBUTP-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.80
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine

N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine (PubChem CID 8024969) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine
PubChem CID8024969
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine
SMILESC1=C(CCNC2CCCCC2)CCCC1
InChIInChI=1S/C14H25N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h7,14-15H,1-6,8-12H2
InChIKeyCYABKDAJZZBUTP-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine (CID 8024969) is N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine is C1=C(CCNC2CCCCC2)CCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine?
The InChIKey is CYABKDAJZZBUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-3-7-13(8-4-1)11-12-15-14-9-5-2-6-10-14/h7,14-15H,1-6,8-12H2.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine?
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine has a molecular weight of 207.36 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]cyclohexanamine is sourced from PubChem (CID 8024969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).