2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine

C12H28N2 — CID 79814315

IUPAC2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CN(C)C(C)C(C)C
InChIInChI=1S/C12H28N2/c1-7-12(13,8-2)9-14(6)11(5)10(3)4/h10-11H,7-9,13H2,1-6H3
InChIKeyOGYUJDHIHPGOLF-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds6

About 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine

2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine (PubChem CID 79814315) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine
PubChem CID79814315
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine
SMILESCCC(N)(CC)CN(C)C(C)C(C)C
InChIInChI=1S/C12H28N2/c1-7-12(13,8-2)9-14(6)11(5)10(3)4/h10-11H,7-9,13H2,1-6H3
InChIKeyOGYUJDHIHPGOLF-UHFFFAOYSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972
1-N-(3,3-dimethylbutan-2-yl)-1-N,2-dimethylbutane-1,2-diamine
CID 79812068
2-cyclopropyl-N,2-dimethyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 123203597
2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
CID 62270300
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
1-N-(1-cyclopropylethyl)-1-N,2-dimethylbutane-1,2-diamine
CID 79810726
2-(bromomethyl)-N-methyl-N-(3-methylbutan-2-yl)butan-1-amine
CID 65000859
N,2-dimethyl-N-(3-methylbutan-2-yl)-N'-(2-methylpropyl)-2-propylpropane-1,3-diamine
CID 55195786
1-N'-ethyl-2-N-methyl-2-N-(3-methylbutan-2-yl)ethane-1,1,2-triamine
CID 167017120
6-ethyl-2-methyloctane-3,6-diamine
CID 87586167
(3S)-N,3,4,4-tetramethyl-N-[(2S)-3-methylbutan-2-yl]pentan-1-amine
CID 170065203
3-ethylpentan-3-amine;phosphane;hexahydrofluoride
CID 173156412

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine (CID 79814315) is 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine is CCC(N)(CC)CN(C)C(C)C(C)C.
What is the InChIKey of 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine?
The InChIKey is OGYUJDHIHPGOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-12(13,8-2)9-14(6)11(5)10(3)4/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine?
2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-methyl-1-N-(3-methylbutan-2-yl)butane-1,2-diamine is sourced from PubChem (CID 79814315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).