1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine

C16H36N2O — CID 103225490

IUPAC1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
SMILESCCCCN(CCCC)C(CNC(C)(C)C)COC
InChIInChI=1S/C16H36N2O/c1-7-9-11-18(12-10-8-2)15(14-19-6)13-17-16(3,4)5/h15,17H,7-14H2,1-6H3
InChIKeyVBCOKJYXBULDRN-UHFFFAOYSA-N
MW272.48 g/mol
LogP3.29
Rot. Bonds11

About 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine

1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine (PubChem CID 103225490) has the molecular formula C16H36N2O and a molecular weight of 272.48 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
PubChem CID103225490
Molecular FormulaC16H36N2O
Molecular Weight272.48 g/mol
Exact Mass272.28
IUPAC Name1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine
SMILESCCCCN(CCCC)C(CNC(C)(C)C)COC
InChIInChI=1S/C16H36N2O/c1-7-9-11-18(12-10-8-2)15(14-19-6)13-17-16(3,4)5/h15,17H,7-14H2,1-6H3
InChIKeyVBCOKJYXBULDRN-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-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

Related Compounds

1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225
1-N-tert-butyl-3-methoxy-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 103225901
1-N-tert-butyl-2-N-ethyl-2-N-(2-ethylbutyl)-3-methoxypropane-1,2-diamine
CID 103226050
1-N-tert-butyl-2-N-[3-(dimethylamino)propyl]-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226630
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
N-tert-butyl-N'-(2-methoxyethyl)-2-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 55072257
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62447273
1-N-tert-butyl-2-N-(1-cyclopropylethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103225720
1-N-tert-butyl-2-N-(2-methoxyethyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 55072209
1-N-tert-butyl-2-N-(cyclobutylmethyl)-3-methoxy-2-N-methylpropane-1,2-diamine
CID 103226340
N-[2-(4-butylphenoxy)-3-methoxypropyl]-2-methylpropan-2-amine
CID 103228933
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine (CID 103225490) is 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine is CCCCN(CCCC)C(CNC(C)(C)C)COC.
What is the InChIKey of 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine?
The InChIKey is VBCOKJYXBULDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N2O/c1-7-9-11-18(12-10-8-2)15(14-19-6)13-17-16(3,4)5/h15,17H,7-14H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine?
1-N-tert-butyl-2-N,2-N-dibutyl-3-methoxypropane-1,2-diamine has a molecular weight of 272.48 g/mol, XLogP of 3.29, 11 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-N-dibutyl-3-methoxypropane-1,2-diamine is sourced from PubChem (CID 103225490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).