N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine

C16H34N2 — CID 54880326

IUPACN'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
SMILESCCC(C)C(C)NCCCN(C)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-5-14(2)15(3)17-12-9-13-18(4)16-10-7-6-8-11-16/h14-17H,5-13H2,1-4H3
InChIKeyUXMMBPAUNAMWTJ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds8

About N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine

N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine (PubChem CID 54880326) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
PubChem CID54880326
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine
SMILESCCC(C)C(C)NCCCN(C)C1CCCCC1
InChIInChI=1S/C16H34N2/c1-5-14(2)15(3)17-12-9-13-18(4)16-10-7-6-8-11-16/h14-17H,5-13H2,1-4H3
InChIKeyUXMMBPAUNAMWTJ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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-propan-2-ylpropane-1,3-diamine
CID 60852014
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
CID 43104261
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-[3-[cyclohexyl(methyl)amino]propylamino]pentanoic acid
CID 83038523
N'-cyclohexyl-N-[1-(4-iodophenyl)ethyl]-N'-methylpropane-1,3-diamine
CID 63452116
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
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-methylpentan-2-yl)propane-1,3-diamine?
The IUPAC name of N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine (CID 54880326) is N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine is CCC(C)C(C)NCCCN(C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine?
The InChIKey is UXMMBPAUNAMWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-14(2)15(3)17-12-9-13-18(4)16-10-7-6-8-11-16/h14-17H,5-13H2,1-4H3.
What are the key properties of N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine?
N'-cyclohexyl-N'-methyl-N-(3-methylpentan-2-yl)propane-1,3-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 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-methylpentan-2-yl)propane-1,3-diamine is sourced from PubChem (CID 54880326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).