N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine

C16H34N2 — CID 63503548

IUPACN'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
SMILESCCCCCCNCCN(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-3-4-5-10-13-17-14-15-18(2)16-11-8-6-7-9-12-16/h16-17H,3-15H2,1-2H3
InChIKeyTWAOVVXSISDZAV-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds9

About N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine

N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine (PubChem CID 63503548) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
PubChem CID63503548
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
SMILESCCCCCCNCCN(C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-3-4-5-10-13-17-14-15-18(2)16-11-8-6-7-9-12-16/h16-17H,3-15H2,1-2H3
InChIKeyTWAOVVXSISDZAV-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 62574097
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N'-cyclohexyl-N'-ethyl-N-hexylethane-1,2-diamine
CID 63501797
N'-cyclopentyl-N'-methyl-N-propylpropane-1,3-diamine
CID 61386666
N-butyl-N-methylcyclohexanamine;hydrochloride
CID 174640226
N-methyl-N-pentylcyclobutanamine
CID 142562644
N'-cyclopentyl-N'-methyl-N-(4,4,4-trifluorobutyl)ethane-1,2-diamine
CID 113326351
6-[2-[cyclopentyl(methyl)amino]ethylamino]-2,2-dimethylhexanenitrile
CID 106709324
5-[3-[cyclohexyl(methyl)amino]propylamino]-N'-hydroxypentanimidamide
CID 77029969
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclohexyl-N'-methyl-N-(3-methylbutyl)propane-1,3-diamine
CID 60732733
2-N-cyclohexyl-2-N-methyl-1-N-pentylpropane-1,2-diamine
CID 62557476

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine (CID 63503548) is N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine is CCCCCCNCCN(C)C1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine?
The InChIKey is TWAOVVXSISDZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-4-5-10-13-17-14-15-18(2)16-11-8-6-7-9-12-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine?
N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 63503548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).