N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine

C15H32N2 — CID 60732733

IUPACN'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCNCCCN(C)C1CCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)10-12-16-11-7-13-17(3)15-8-5-4-6-9-15/h14-16H,4-13H2,1-3H3
InChIKeyJSRZEUPPQITLRW-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds8

About N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine (PubChem CID 60732733) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
PubChem CID60732733
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
SMILESCC(C)CCNCCCN(C)C1CCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)10-12-16-11-7-13-17(3)15-8-5-4-6-9-15/h14-16H,4-13H2,1-3H3
InChIKeyJSRZEUPPQITLRW-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclopropyl-N'-methyl-N-(3-methylbutyl)ethane-1,2-diamine
CID 62575619
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N'-cyclohexyl-N'-methyl-N-(4,4,4-trifluorobutyl)propane-1,3-diamine
CID 115513573
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N-(2,2-dimethoxyethyl)-N'-methylpropane-1,3-diamine
CID 63697606
N'-[3-[cyclohexyl(methyl)amino]propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441949
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
(2S)-3-[3-[cyclohexyl(methyl)amino]propylamino]propane-1,2-diol
CID 61142942
methyl 3-[3-[cyclohexyl(methyl)amino]propylamino]-2-methylpropanoate
CID 54880256
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-cyclopentyl-N'-methyl-N-(5-methylhexan-2-yl)ethane-1,2-diamine
CID 62574178
N'-cyclohexyl-N'-methyl-N-(4-propan-2-ylcyclohexyl)propane-1,3-diamine
CID 63451987

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine (CID 60732733) is N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine is CC(C)CCNCCCN(C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine?
The InChIKey is JSRZEUPPQITLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)10-12-16-11-7-13-17(3)15-8-5-4-6-9-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine is sourced from PubChem (CID 60732733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).