2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine

C15H34N2 — CID 55193416

IUPAC2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-5-6-7-8-9-10-15(13-16)17(4)12-11-14(2)3/h14-15H,5-13,16H2,1-4H3
InChIKeyJGTXOHXBPSWFPM-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.65
Rot. Bonds11

About 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine

2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine (PubChem CID 55193416) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
PubChem CID55193416
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-5-6-7-8-9-10-15(13-16)17(4)12-11-14(2)3/h14-15H,5-13,16H2,1-4H3
InChIKeyJGTXOHXBPSWFPM-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.65
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

2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-(2-methoxyethyl)-2-N-methyloctane-1,2-diamine
CID 61427745
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-methyl-2-N-(2-pyrrolidin-1-ylethyl)octane-1,2-diamine
CID 63206770
ethane;N-methyl-N-(3-methylbutyl)-1-(2-octylcyclopropyl)hexadecan-8-amine;N-methyl-1-(2-octylcyclopropyl)-N-propylhexadecan-8-amine
CID 176996142
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine
CID 63465047

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine (CID 55193416) is 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine is CCCCCCCC(CN)N(C)CCC(C)C.
What is the InChIKey of 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
The InChIKey is JGTXOHXBPSWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-6-7-8-9-10-15(13-16)17(4)12-11-14(2)3/h14-15H,5-13,16H2,1-4H3.
What are the key properties of 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine?
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.65, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine is sourced from PubChem (CID 55193416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).