N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine

C16H30N2 — CID 60692146

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1CCNCCC1=CCCCC1
InChIInChI=1S/C16H30N2/c1-18-14-6-5-9-16(18)11-13-17-12-10-15-7-3-2-4-8-15/h7,16-17H,2-6,8-14H2,1H3
InChIKeyKXCXKDXJAXAAFP-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.34
Rot. Bonds6

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

N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine (PubChem CID 60692146) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine
PubChem CID60692146
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine
SMILESCN1CCCCC1CCNCCC1=CCCCC1
InChIInChI=1S/C16H30N2/c1-18-14-6-5-9-16(18)11-13-17-12-10-15-7-3-2-4-8-15/h7,16-17H,2-6,8-14H2,1H3
InChIKeyKXCXKDXJAXAAFP-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
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

1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine dihydrochloride
CID 126809544
R-Azabisabolene
CID 5289266
S-Azabisabolene
CID 5289326
2-methyl-6-[(E)-pentadec-6-enyl]piperidine
CID 5458392
2-Methyl-6-(cis-4-tridecenyl)piperidine
CID 68549441
2-Methyl-6-(trans-4-tridecenyl)piperidine
CID 68554503
trans-2-Methyl-6-(cis-4-tridecenyl)piperidine
CID 129730471
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
(2S,4R)-2-[(3E,5Z)-4-fluorohepta-1,3,5-trien-2-yl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 169644113
Fire ant venom
CID 5478029
[3-(2-Methyl-piperidin-1-yl)-propyl]-(1,5,9-trimethyl-deca-4,8-dienyl)-amine
CID 6480533

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine (CID 60692146) is N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine is CN1CCCCC1CCNCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine?
The InChIKey is KXCXKDXJAXAAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-18-14-6-5-9-16(18)11-13-17-12-10-15-7-3-2-4-8-15/h7,16-17H,2-6,8-14H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine?
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine has a molecular weight of 250.43 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methylpiperidin-2-yl)ethanamine is sourced from PubChem (CID 60692146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).