1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine

C12H29N3 — CID 134313991

IUPAC1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
SMILESCCNCC(C)(C)NCC(C)(C)NCC
InChIInChI=1S/C12H29N3/c1-7-13-9-11(3,4)15-10-12(5,6)14-8-2/h13-15H,7-10H2,1-6H3
InChIKeyLOHFBRGPYWYBCE-UHFFFAOYSA-N
MW215.38 g/mol
LogP1.35
Rot. Bonds8

About 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine

1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine (PubChem CID 134313991) has the molecular formula C12H29N3 and a molecular weight of 215.38 g/mol. Its IUPAC name is 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
PubChem CID134313991
Molecular FormulaC12H29N3
Molecular Weight215.38 g/mol
Exact Mass215.24
IUPAC Name1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine
SMILESCCNCC(C)(C)NCC(C)(C)NCC
InChIInChI=1S/C12H29N3/c1-7-13-9-11(3,4)15-10-12(5,6)14-8-2/h13-15H,7-10H2,1-6H3
InChIKeyLOHFBRGPYWYBCE-UHFFFAOYSA-N
XLogP1.35
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-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

2-N-ethyl-1-N-(3-ethylpentan-3-yl)-2-methylpropane-1,2-diamine
CID 65041307
2-N-ethyl-2-methyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62835035
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
CID 115520295
2-methyl-1-[[2-methyl-2-[(2-methyl-2-sulfanylpropyl)amino]propyl]amino]propane-2-thiol
CID 15635979
1-(ethylamino)-2-methylpropane-2-thiol
CID 13049084
2-(ethylamino)-2-methylpropan-1-ol
CID 15105174
(2R,5R)-2-(ethylamino)-5-(ethylaminomethyl)-2,5-dimethylhexane-1,6-dithiol
CID 157116674
1-(ethylamino)-2,5,5-trimethylhexan-2-ol
CID 66039846
2-N-ethyl-2-methyl-1-N-[(6-methyl-3-pyridinyl)methyl]propane-1,2-diamine
CID 134406499
N-ethyl-2,2,4,4-tetramethylpentan-1-amine
CID 142123561
(2S)-N-ethyl-2-iodo-2,3,3-trimethylbutan-1-amine
CID 155370446

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine?
The IUPAC name of 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine (CID 134313991) is 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine is CCNCC(C)(C)NCC(C)(C)NCC.
What is the InChIKey of 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine?
The InChIKey is LOHFBRGPYWYBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29N3/c1-7-13-9-11(3,4)15-10-12(5,6)14-8-2/h13-15H,7-10H2,1-6H3.
What are the key properties of 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine?
1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine has a molecular weight of 215.38 g/mol, XLogP of 1.35, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2-N-[2-(ethylamino)-2-methylpropyl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 134313991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).