N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

C16H27N3 — CID 60733454

IUPACN'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCc1ccncc1)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-19(16-6-3-2-4-7-16)13-5-10-18-14-15-8-11-17-12-9-15/h8-9,11-12,16,18H,2-7,10,13-14H2,1H3
InChIKeyJUFSZSLXINOSKJ-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.83
Rot. Bonds7

About N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (PubChem CID 60733454) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
PubChem CID60733454
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCc1ccncc1)C1CCCCC1
InChIInChI=1S/C16H27N3/c1-19(16-6-3-2-4-7-16)13-5-10-18-14-15-8-11-17-12-9-15/h8-9,11-12,16,18H,2-7,10,13-14H2,1H3
InChIKeyJUFSZSLXINOSKJ-UHFFFAOYSA-N
XLogP2.83
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N-[(3,5-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 63451944
N'-cyclohexyl-N-[(1-ethylpyrrol-3-yl)methyl]-N'-methylpropane-1,3-diamine
CID 66413997
N'-cyclohexyl-N-[(3-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60733037
N'-cyclohexyl-N-[(1-ethylpyrazol-4-yl)methyl]-N'-methylpropane-1,3-diamine
CID 62127761
N'-cyclohexyl-N-[(2,6-difluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 60980291
3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]benzonitrile
CID 60732885
N'-cyclohexyl-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propane-1,3-diamine
CID 60777015
N-[(6-bromo-2-pyridinyl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 115938175
N'-cyclopentyl-N-[[4-(dimethylamino)phenyl]methyl]-N'-methylethane-1,2-diamine
CID 63314701
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 60981096
N-[(E)-4-chlorobut-2-enyl]-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 81430248
N,N'-bis(pyridin-4-ylmethyl)pentane-1,5-diamine
CID 101163000

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine (CID 60733454) is N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is CN(CCCNCc1ccncc1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is JUFSZSLXINOSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-19(16-6-3-2-4-7-16)13-5-10-18-14-15-8-11-17-12-9-15/h8-9,11-12,16,18H,2-7,10,13-14H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 261.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 60733454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).