2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine

C16H36N2 — CID 63465047

IUPAC2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine
SMILESCCCCCCCC(CN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H36N2/c1-7-8-9-10-11-12-15(13-17)18(6)14(2)16(3,4)5/h14-15H,7-13,17H2,1-6H3
InChIKeyOSLQJKXCNFANOF-UHFFFAOYSA-N
MW256.48 g/mol
LogP4.04
Rot. Bonds9

About 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine

2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine (PubChem CID 63465047) has the molecular formula C16H36N2 and a molecular weight of 256.48 g/mol. Its IUPAC name is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine
PubChem CID63465047
Molecular FormulaC16H36N2
Molecular Weight256.48 g/mol
Exact Mass256.29
IUPAC Name2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine
SMILESCCCCCCCC(CN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C16H36N2/c1-7-8-9-10-11-12-15(13-17)18(6)14(2)16(3,4)5/h14-15H,7-13,17H2,1-6H3
InChIKeyOSLQJKXCNFANOF-UHFFFAOYSA-N
XLogP4.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.48
LogP ≤ 54.04
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-methyl-2-N-(3-methylbutan-2-yl)hexane-1,2-diamine
CID 61353943
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-butan-2-yl-2-N-ethyloctane-1,2-diamine
CID 43274343
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
N,N-dimethyltetracontan-19-amine
CID 45382230

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine?
The IUPAC name of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine (CID 63465047) is 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine.
What is the SMILES notation for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine?
The canonical SMILES for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine is CCCCCCCC(CN)N(C)C(C)C(C)(C)C.
What is the InChIKey of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine?
The InChIKey is OSLQJKXCNFANOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2/c1-7-8-9-10-11-12-15(13-17)18(6)14(2)16(3,4)5/h14-15H,7-13,17H2,1-6H3.
What are the key properties of 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine?
2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine has a molecular weight of 256.48 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-dimethylbutan-2-yl)-2-N-methylnonane-1,2-diamine is sourced from PubChem (CID 63465047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).