N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine

C12H24N2 — CID 115207859

IUPACN-(azetidin-3-ylmethyl)-2-cyclohexylethanamine
SMILESC1CCC(CCNCC2CNC2)CC1
InChIInChI=1S/C12H24N2/c1-2-4-11(5-3-1)6-7-13-8-12-9-14-10-12/h11-14H,1-10H2
InChIKeyFYQIVBDPWMDOBE-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.77
Rot. Bonds5

About N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine

N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine (PubChem CID 115207859) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-2-cyclohexylethanamine
PubChem CID115207859
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(azetidin-3-ylmethyl)-2-cyclohexylethanamine
SMILESC1CCC(CCNCC2CNC2)CC1
InChIInChI=1S/C12H24N2/c1-2-4-11(5-3-1)6-7-13-8-12-9-14-10-12/h11-14H,1-10H2
InChIKeyFYQIVBDPWMDOBE-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
2-(2-cycloheptylethylamino)ethanol
CID 22723010
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
N-(azetidin-3-ylmethyl)-2-cyclohexyl-2-methylpropan-1-amine
CID 115208032
3-(2-cycloheptylethylamino)propan-1-ol
CID 114457835
2-(azetidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 116679543
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
2-cyclopentyl-N-(oxan-3-ylmethyl)ethanamine
CID 63741099
2-cyclohexyl-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260693

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine?
The IUPAC name of N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine (CID 115207859) is N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine?
The canonical SMILES for N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine is C1CCC(CCNCC2CNC2)CC1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine?
The InChIKey is FYQIVBDPWMDOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-2-4-11(5-3-1)6-7-13-8-12-9-14-10-12/h11-14H,1-10H2.
What are the key properties of N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine?
N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine has a molecular weight of 196.34 g/mol, XLogP of 1.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-2-cyclohexylethanamine is sourced from PubChem (CID 115207859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).