N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine

C17H29N3 — CID 62615670

IUPACN-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CC)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-3-19-17-8-6-5-7-16(17)14-20(4-2)13-15-9-11-18-12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3
InChIKeyDYSWOHKCDFFIIA-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds7

About N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine

N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62615670) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62615670
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
SMILESCCNC1CCCCC1CN(CC)Cc1ccncc1
InChIInChI=1S/C17H29N3/c1-3-19-17-8-6-5-7-16(17)14-20(4-2)13-15-9-11-18-12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3
InChIKeyDYSWOHKCDFFIIA-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]cycloheptan-1-amine
CID 62615411
N-[(2-ethylcyclopropyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 143613245
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-N-methyloxolan-3-amine
CID 66247166
2-[[benzyl(ethyl)amino]methyl]-N-methylcyclopentan-1-amine
CID 62614486
2-[[cyclobutylmethyl(ethyl)amino]methyl]-N-ethylcyclohexan-1-amine
CID 107401671
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 103061377
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylcyclopentan-1-amine
CID 62610200
2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-propylcyclohexan-1-amine
CID 62608925
1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63914966
2-[[2-ethoxyethyl(ethyl)amino]methyl]-N-ethylcycloheptan-1-amine
CID 63692668
N-ethyl-2,2-dimethyl-6-[[methyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 79842615

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine (CID 62615670) is N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine is CCNC1CCCCC1CN(CC)Cc1ccncc1.
What is the InChIKey of N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is DYSWOHKCDFFIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-3-19-17-8-6-5-7-16(17)14-20(4-2)13-15-9-11-18-12-10-15/h9-12,16-17,19H,3-8,13-14H2,1-2H3.
What are the key properties of N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine?
N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62615670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).