2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine

C16H37N3 — CID 55011655

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H37N3/c1-6-7-8-9-10-16(13-17)19(14-15(2)3)12-11-18(4)5/h15-16H,6-14,17H2,1-5H3
InChIKeyDZRVPWNMKWCJHZ-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.80
Rot. Bonds12

About 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine (PubChem CID 55011655) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
PubChem CID55011655
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
SMILESCCCCCCC(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H37N3/c1-6-7-8-9-10-16(13-17)19(14-15(2)3)12-11-18(4)5/h15-16H,6-14,17H2,1-5H3
InChIKeyDZRVPWNMKWCJHZ-UHFFFAOYSA-N
XLogP2.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
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-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine (CID 55011655) is 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine is CCCCCCC(CN)N(CCN(C)C)CC(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine?
The InChIKey is DZRVPWNMKWCJHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-6-7-8-9-10-16(13-17)19(14-15(2)3)12-11-18(4)5/h15-16H,6-14,17H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.80, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine is sourced from PubChem (CID 55011655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).