N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine

C13H28N2 — CID 130281302

IUPACN'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(NCCN(C)CC)C(C)(C)C(C)C
InChIInChI=1S/C13H28N2/c1-8-15(7)10-9-14-12(4)13(5,6)11(2)3/h11,14H,4,8-10H2,1-3,5-7H3
InChIKeyUXHJBSYAUGZXMV-UHFFFAOYSA-N
MW212.38 g/mol
LogP2.72
Rot. Bonds7

About N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine

N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine (PubChem CID 130281302) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine
PubChem CID130281302
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC NameN'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine
SMILESC=C(NCCN(C)CC)C(C)(C)C(C)C
InChIInChI=1S/C13H28N2/c1-8-15(7)10-9-14-12(4)13(5,6)11(2)3/h11,14H,4,8-10H2,1-3,5-7H3
InChIKeyUXHJBSYAUGZXMV-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-but-1-en-2-yl-N'-ethyl-N'-methylethane-1,2-diamine
CID 176941787
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
(2S)-2-amino-N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 62642428
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
1-[2-[ethyl(methyl)amino]ethyl]-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111505352
3-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]-2-methylpropanamide
CID 62838043
ethane;N-[2-[ethyl(methyl)amino]ethyl]acetamide
CID 142011990
2-amino-N-[2-[ethyl(methyl)amino]ethyl]-4-methylpentanamide
CID 62639879
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 115595346

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine (CID 130281302) is N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine is C=C(NCCN(C)CC)C(C)(C)C(C)C.
What is the InChIKey of N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine?
The InChIKey is UXHJBSYAUGZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2/c1-8-15(7)10-9-14-12(4)13(5,6)11(2)3/h11,14H,4,8-10H2,1-3,5-7H3.
What are the key properties of N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine?
N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine has a molecular weight of 212.38 g/mol, XLogP of 2.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(3,3,4-trimethylpent-1-en-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 130281302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).