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

C16H32N2O — CID 55066114

IUPACN'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCOCC1)C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-18(16-6-3-2-4-7-16)11-5-10-17-14-15-8-12-19-13-9-15/h15-17H,2-14H2,1H3
InChIKeySNERBCWVLKVCSR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.66
Rot. Bonds7

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

N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine (PubChem CID 55066114) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
PubChem CID55066114
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCOCC1)C1CCCCC1
InChIInChI=1S/C16H32N2O/c1-18(16-6-3-2-4-7-16)11-5-10-17-14-15-8-12-19-13-9-15/h15-17H,2-14H2,1H3
InChIKeySNERBCWVLKVCSR-UHFFFAOYSA-N
XLogP2.66
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.66
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'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79707936
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(oxan-4-yl)ethane-1,2-diamine
CID 63098109
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
1-[3-[cyclohexyl(methyl)amino]propyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111642233
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
5-(oxan-4-ylmethylamino)pentan-1-ol
CID 63711155
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine (CID 55066114) is N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine is CN(CCCNCC1CCOCC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine?
The InChIKey is SNERBCWVLKVCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-18(16-6-3-2-4-7-16)11-5-10-17-14-15-8-12-19-13-9-15/h15-17H,2-14H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(oxan-4-ylmethyl)propane-1,3-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.66, 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-(oxan-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 55066114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).