2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine

C12H26N2 — CID 83043424

IUPAC2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CN(CC)C(CCC)CNC
InChIInChI=1S/C12H26N2/c1-6-8-12(9-13-5)14(7-2)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyNIJMGJNQXJUHMC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds8

About 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine

2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine (PubChem CID 83043424) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
PubChem CID83043424
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
SMILESC=C(C)CN(CC)C(CCC)CNC
InChIInChI=1S/C12H26N2/c1-6-8-12(9-13-5)14(7-2)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3
InChIKeyNIJMGJNQXJUHMC-UHFFFAOYSA-N
XLogP2.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043527
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-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62419582
3-(diethylamino)-4-(methylamino)butan-1-ol
CID 118105056
1-N,2-N,2-N-triethylpentane-1,2-diamine
CID 83043312
2-N-butan-2-yl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054074
1-N,2-N-diethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 83054107
2-N-butan-2-yl-1-N,2-N-dimethylpentane-1,2-diamine
CID 83043329
(2R)-2-amino-N-ethyl-N-(2-methylprop-2-enyl)pentanamide
CID 107568096
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414266
2-N-cyclopentyl-2-N-ethyl-1-N-methylpentane-1,2-diamine
CID 83054821

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The IUPAC name of 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine (CID 83043424) is 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine is C=C(C)CN(CC)C(CCC)CNC.
What is the InChIKey of 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
The InChIKey is NIJMGJNQXJUHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-8-12(9-13-5)14(7-2)10-11(3)4/h12-13H,3,6-10H2,1-2,4-5H3.
What are the key properties of 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine?
2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine is sourced from PubChem (CID 83043424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).