3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine

C12H26N2 — CID 79414159

IUPAC3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
SMILESC=C(C)CN(CC)C(C)C(C)CNC
InChIInChI=1S/C12H26N2/c1-7-14(9-10(2)3)12(5)11(4)8-13-6/h11-13H,2,7-9H2,1,3-6H3
InChIKeyXDRATFUGPIHWJL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.13
Rot. Bonds7

About 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine

3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine (PubChem CID 79414159) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
PubChem CID79414159
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
SMILESC=C(C)CN(CC)C(C)C(C)CNC
InChIInChI=1S/C12H26N2/c1-7-14(9-10(2)3)12(5)11(4)8-13-6/h11-13H,2,7-9H2,1,3-6H3
InChIKeyXDRATFUGPIHWJL-UHFFFAOYSA-N
XLogP2.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.13
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-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 79414266
2-N-ethyl-1-N-methyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043424
2-N-ethyl-2-N-(2-methylprop-2-enyl)-1-N-(2-methylpropyl)propane-1,2-diamine
CID 62419582
3-N-ethyl-3-N-(2-methylprop-2-enyl)-1-N-propylbutane-1,3-diamine
CID 62417278
1-N,2-dimethyl-3-N,3-N-bis(2-methylpropyl)butane-1,3-diamine
CID 79409781
1-N-tert-butyl-2-N-ethyl-2-N-(2-methylprop-2-enyl)pentane-1,2-diamine
CID 83043527
2-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylpropyl)propanamide
CID 86908385
1-N,3-N-diethyl-1-N-(2-methylprop-2-enyl)butane-1,3-diamine
CID 62834009
N-ethyl-2-methyl-N-(2-methylprop-2-enyl)propanamide
CID 60660134
3-(diethylamino)-4-(methylamino)butan-1-ol
CID 118105056
1-[1-(dimethylamino)propan-2-yl-ethylamino]-3-(methylamino)propan-2-ol
CID 103188299
3-N-ethyl-2-methyl-3-N-(2-methylbutyl)-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81019378

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The IUPAC name of 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine (CID 79414159) is 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The canonical SMILES for 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine is C=C(C)CN(CC)C(C)C(C)CNC.
What is the InChIKey of 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
The InChIKey is XDRATFUGPIHWJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-7-14(9-10(2)3)12(5)11(4)8-13-6/h11-13H,2,7-9H2,1,3-6H3.
What are the key properties of 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine?
3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1-N,2-dimethyl-3-N-(2-methylprop-2-enyl)butane-1,3-diamine is sourced from PubChem (CID 79414159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).