N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine

C17H29N3 — CID 62614406

IUPACN-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(C)CCc1ccccn1
InChIInChI=1S/C17H29N3/c1-3-18-17-10-5-4-8-15(17)14-20(2)13-11-16-9-6-7-12-19-16/h6-7,9,12,15,17-18H,3-5,8,10-11,13-14H2,1-2H3
InChIKeyGCHHXMRXDRCYNF-UHFFFAOYSA-N
MW275.44 g/mol
LogP2.72
Rot. Bonds7

About N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine

N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62614406) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62614406
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(C)CCc1ccccn1
InChIInChI=1S/C17H29N3/c1-3-18-17-10-5-4-8-15(17)14-20(2)13-11-16-9-6-7-12-19-16/h6-7,9,12,15,17-18H,3-5,8,10-11,13-14H2,1-2H3
InChIKeyGCHHXMRXDRCYNF-UHFFFAOYSA-N
XLogP2.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Triprolidine
CID 5282443
Anabasine
CID 205586
(+-)-Dimethindene
CID 21855
Nornicotine
CID 91462
Pheniramine
CID 4761
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Anabasine
CID 2181
Betahistine
CID 2366
2-Pyridineethanamine
CID 75919
5-Ethyl-2-methylpyridine
CID 7728
Rivanicline
CID 5310967
2-(3-Phenylpropyl)Pyridine
CID 459494

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine (CID 62614406) is N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine is CCNC1CCCCC1CN(C)CCc1ccccn1.
What is the InChIKey of N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is GCHHXMRXDRCYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-18-17-10-5-4-8-15(17)14-20(2)13-11-16-9-6-7-12-19-16/h6-7,9,12,15,17-18H,3-5,8,10-11,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62614406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).