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

C16H33N3 — CID 79707936

IUPACN'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCNCC1)C1CCCCC1
InChIInChI=1S/C16H33N3/c1-19(16-6-3-2-4-7-16)13-5-10-18-14-15-8-11-17-12-9-15/h15-18H,2-14H2,1H3
InChIKeyXQANXZVQHKRJKG-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.23
Rot. Bonds7

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

N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine (PubChem CID 79707936) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
PubChem CID79707936
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC NameN'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
SMILESCN(CCCNCC1CCNCC1)C1CCCCC1
InChIInChI=1S/C16H33N3/c1-19(16-6-3-2-4-7-16)13-5-10-18-14-15-8-11-17-12-9-15/h15-18H,2-14H2,1H3
InChIKeyXQANXZVQHKRJKG-UHFFFAOYSA-N
XLogP2.23
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.23
H-Bond Donors ≤ 52
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-(oxan-4-ylmethyl)propane-1,3-diamine
CID 55066114
N'-cyclohexyl-N'-methyl-N-(thiolan-3-ylmethyl)propane-1,3-diamine
CID 107131892
N-[3-[cyclohexyl(methyl)amino]propyl]piperidine-4-carboxamide
CID 60981241
N',N'-diethyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 79698915
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
3-[methyl(piperidin-4-yl)amino]propan-1-ol
CID 12019499
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N-methyl-N-(piperidin-4-ylmethyl)cyclohexanamine;hydrochloride
CID 119929256
(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-(piperidin-4-ylmethyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine (CID 79707936) is N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine is CN(CCCNCC1CCNCC1)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
The InChIKey is XQANXZVQHKRJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-19(16-6-3-2-4-7-16)13-5-10-18-14-15-8-11-17-12-9-15/h15-18H,2-14H2,1H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine has a molecular weight of 267.46 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(piperidin-4-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 79707936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).