1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine

C12H26N2 — CID 106547113

IUPAC1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCC=C(C)C
InChIInChI=1S/C12H26N2/c1-6-14(7-2)10-12(5)13-9-8-11(3)4/h8,12-13H,6-7,9-10H2,1-5H3
InChIKeyRBEYRKMGPGIODA-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.27
Rot. Bonds7

About 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine (PubChem CID 106547113) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine
PubChem CID106547113
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine
SMILESCCN(CC)CC(C)NCC=C(C)C
InChIInChI=1S/C12H26N2/c1-6-14(7-2)10-12(5)13-9-8-11(3)4/h8,12-13H,6-7,9-10H2,1-5H3
InChIKeyRBEYRKMGPGIODA-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

N-(1-bromopropan-2-yl)-3-methylbut-2-en-1-amine
CID 107901343
(2S)-2-(3-methylbut-2-enylamino)propan-1-ol
CID 55300374
4-methyl-N-(3-methylbut-2-enyl)hexan-2-amine
CID 106547240
(2S)-1-[1-(diethylamino)propan-2-ylamino]propan-2-ol
CID 106932045
3-[[1-(diethylamino)propan-2-ylamino]methyl]pentan-3-ol
CID 114493012
1-N,1-N-diethyl-5-N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]hexane-1,5-diamine
CID 90126668
1-[1-(diethylamino)propan-2-ylamino]-2,3-dimethylbutan-2-ol
CID 114493013
N,N-diethyl-2-hydrazinylpropan-1-amine
CID 55279029
1-[[1-(diethylamino)propan-2-ylamino]methyl]cyclopentan-1-ol
CID 65211000
3-[1-(diethylamino)propan-2-ylamino]-2,2-dimethylpropanoic acid
CID 79623860
2-N-tert-butyl-1-N,1-N-diethylpropane-1,2-diamine
CID 126758240
N'-ethyl-N-(3-methylbut-2-enyl)-N'-propylethane-1,2-diamine
CID 106547265

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine (CID 106547113) is 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine is CCN(CC)CC(C)NCC=C(C)C.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine?
The InChIKey is RBEYRKMGPGIODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-6-14(7-2)10-12(5)13-9-8-11(3)4/h8,12-13H,6-7,9-10H2,1-5H3.
What are the key properties of 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-2-N-(3-methylbut-2-enyl)propane-1,2-diamine is sourced from PubChem (CID 106547113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).