2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine

C13H28N2 — CID 62419582

IUPAC2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESC=C(C)CN(CC)C(C)CNCC(C)C
InChIInChI=1S/C13H28N2/c1-7-15(10-12(4)5)13(6)9-14-8-11(2)3/h11,13-14H,4,7-10H2,1-3,5-6H3
InChIKeySZXWPEXZZKQDNK-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.52
Rot. Bonds8

About 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine

2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine (PubChem CID 62419582) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
PubChem CID62419582
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
SMILESC=C(C)CN(CC)C(C)CNCC(C)C
InChIInChI=1S/C13H28N2/c1-7-15(10-12(4)5)13(6)9-14-8-11(2)3/h11,13-14H,4,7-10H2,1-3,5-6H3
InChIKeySZXWPEXZZKQDNK-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-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

3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414159
3-N-ethyl-3-N-(2-methylprop-2-enyl)-1-N-propylbutane-1,3-diamine
CID 62417278
2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043424
N-ethyl-2,2-dimethyl-N-(2-methylprop-2-enyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 79619526
2-N-(cyclopropylmethyl)-2-N-ethyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63940650
2-methyl-N-(2-methylprop-2-enyl)propan-1-amine
CID 20518350
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414266
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043527
2-N-ethyl-2-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,2-diamine
CID 79480134
CID 175939227
CID 175939227
(2S)-1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 97170093
1-N,2-N,2-N-triethylpropane-1,2-diamine
CID 18364429

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine (CID 62419582) is 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine is C=C(C)CN(CC)C(C)CNCC(C)C.
What is the InChIKey of 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
The InChIKey is SZXWPEXZZKQDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-7-15(10-12(4)5)13(6)9-14-8-11(2)3/h11,13-14H,4,7-10H2,1-3,5-6H3.
What are the key properties of 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine?
2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine is sourced from PubChem (CID 62419582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).