4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

C14H23N3 — CID 79116173

IUPAC4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(Cc1cccnc1)C1CCC(N)CC1
InChIInChI=1S/C14H23N3/c1-2-17(11-12-4-3-9-16-10-12)14-7-5-13(15)6-8-14/h3-4,9-10,13-14H,2,5-8,11,15H2,1H3
InChIKeyXQULAERHIIZSMO-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.17
Rot. Bonds4

About 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (PubChem CID 79116173) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
PubChem CID79116173
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
SMILESCCN(Cc1cccnc1)C1CCC(N)CC1
InChIInChI=1S/C14H23N3/c1-2-17(11-12-4-3-9-16-10-12)14-7-5-13(15)6-8-14/h3-4,9-10,13-14H,2,5-8,11,15H2,1H3
InChIKeyXQULAERHIIZSMO-UHFFFAOYSA-N
XLogP2.17
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
4-[[methyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 54928175
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
4-N-[(2-chloro-4-pyridinyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115783
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N,4-dimethyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine;ethane;methane
CID 161242864
4-N-[(2-bromophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115581
4-N-benzyl-4-N-propylcyclohexane-1,4-diamine
CID 79112362
4-N-[(3,4-difluorophenyl)methyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79116008
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
CID 80672034
4-[[(4-aminocyclohexyl)-ethylamino]methyl]benzamide
CID 79115625
4-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)cyclohexane-1-carboxamide
CID 60962806

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine (CID 79116173) is 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is CCN(Cc1cccnc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
The InChIKey is XQULAERHIIZSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-2-17(11-12-4-3-9-16-10-12)14-7-5-13(15)6-8-14/h3-4,9-10,13-14H,2,5-8,11,15H2,1H3.
What are the key properties of 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine has a molecular weight of 233.36 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79116173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).