N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine

C18H36N2 — CID 107429474

IUPACN-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCN(CC1CCCCN1)C1CCCC(CC(C)C)C1
InChIInChI=1S/C18H36N2/c1-4-20(14-17-9-5-6-11-19-17)18-10-7-8-16(13-18)12-15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyLWTNWAAXCBIOLE-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.06
Rot. Bonds6

About N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine

N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 107429474) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID107429474
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
SMILESCCN(CC1CCCCN1)C1CCCC(CC(C)C)C1
InChIInChI=1S/C18H36N2/c1-4-20(14-17-9-5-6-11-19-17)18-10-7-8-16(13-18)12-15(2)3/h15-19H,4-14H2,1-3H3
InChIKeyLWTNWAAXCBIOLE-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429472
N-ethyl-N-(piperidin-2-ylmethyl)-2-propan-2-yloxan-4-amine
CID 106622747
1-cyclobutyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603623
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine
CID 5242008
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849
N-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrrolidin-3-amine
CID 106603535
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
N-ethyl-N-(pyrrolidin-2-ylmethyl)oxan-3-amine
CID 106603663
N-ethyl-3-methoxy-N-(piperidin-2-ylmethyl)butan-2-amine
CID 106622534
N-ethyl-2,3-dimethyl-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 106622517

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine (CID 107429474) is N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine is CCN(CC1CCCCN1)C1CCCC(CC(C)C)C1.
What is the InChIKey of N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is LWTNWAAXCBIOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1-4-20(14-17-9-5-6-11-19-17)18-10-7-8-16(13-18)12-15(2)3/h15-19H,4-14H2,1-3H3.
What are the key properties of N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine?
N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 280.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 107429474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).