1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine

C16H37N3 — CID 62427690

IUPAC1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H37N3/c1-9-15(12-17-16(4,5)6)19(13-14(2)3)11-10-18(7)8/h14-15,17H,9-13H2,1-8H3
InChIKeyOCYDWHAPVXEQPF-UHFFFAOYSA-N
MW271.49 g/mol
LogP2.67
Rot. Bonds9

About 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine

1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine (PubChem CID 62427690) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine
PubChem CID62427690
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC Name1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine
SMILESCCC(CNC(C)(C)C)N(CCN(C)C)CC(C)C
InChIInChI=1S/C16H37N3/c1-9-15(12-17-16(4,5)6)19(13-14(2)3)11-10-18(7)8/h14-15,17H,9-13H2,1-8H3
InChIKeyOCYDWHAPVXEQPF-UHFFFAOYSA-N
XLogP2.67
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine (CID 62427690) is 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine is CCC(CNC(C)(C)C)N(CCN(C)C)CC(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine?
The InChIKey is OCYDWHAPVXEQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37N3/c1-9-15(12-17-16(4,5)6)19(13-14(2)3)11-10-18(7)8/h14-15,17H,9-13H2,1-8H3.
What are the key properties of 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine?
1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine has a molecular weight of 271.49 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)butane-1,2-diamine is sourced from PubChem (CID 62427690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).