N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine

C12H22N2 — CID 83006768

IUPACN-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine
SMILESC1=CCC(CNN2CCCCC2)CC1
InChIInChI=1S/C12H22N2/c1-3-7-12(8-4-1)11-13-14-9-5-2-6-10-14/h1,3,12-13H,2,4-11H2
InChIKeySXQVURHKPWLQPP-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.33
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine

N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine (PubChem CID 83006768) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine
PubChem CID83006768
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine
SMILESC1=CCC(CNN2CCCCC2)CC1
InChIInChI=1S/C12H22N2/c1-3-7-12(8-4-1)11-13-14-9-5-2-6-10-14/h1,3,12-13H,2,4-11H2
InChIKeySXQVURHKPWLQPP-UHFFFAOYSA-N
XLogP2.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine (CID 83006768) is N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine is C1=CCC(CNN2CCCCC2)CC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine?
The InChIKey is SXQVURHKPWLQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-12(8-4-1)11-13-14-9-5-2-6-10-14/h1,3,12-13H,2,4-11H2.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine?
N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)piperidin-1-amine is sourced from PubChem (CID 83006768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).