1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine

C12H28N2 — CID 63960051

IUPAC1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)C(C)(C)CC
InChIInChI=1S/C12H28N2/c1-7-9-12(5,13)10-14(6)11(3,4)8-2/h7-10,13H2,1-6H3
InChIKeyZFHTVRYKTYQTQZ-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.62
Rot. Bonds6

About 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine

1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine (PubChem CID 63960051) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
PubChem CID63960051
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine
SMILESCCCC(C)(N)CN(C)C(C)(C)CC
InChIInChI=1S/C12H28N2/c1-7-9-12(5,13)10-14(6)11(3,4)8-2/h7-10,13H2,1-6H3
InChIKeyZFHTVRYKTYQTQZ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N',2-trimethyl-N'-(2-methylbutan-2-yl)-2-propylpropane-1,3-diamine
CID 63967395
2-amino-2-methyl-4-[methyl(2-methylbutan-2-yl)amino]butan-1-ol
CID 64791427
2,2-diethyl-N'-methyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63965862
1-N-[3-(dimethylamino)propyl]-1-N,2-dimethylpentane-1,2-diamine
CID 63701294
1-N-(2-methoxyethyl)-1-N,2-dimethylpentane-1,2-diamine
CID 61428179
2-methyl-1-N-(2-methylpropyl)-1-N-pentan-3-ylpentane-1,2-diamine
CID 79491872
1-N,2-dimethyl-1-N-(4-methylcyclohexyl)pentane-1,2-diamine
CID 61438014
1-[methyl-[2-methyl-1-[methyl(2-methylbutan-2-yl)amino]propan-2-yl]amino]propan-2-ol
CID 165002864
1-N-(4-ethylphenyl)-1-N,2-dimethylpentane-1,2-diamine
CID 62001526
N,N',2,2-tetramethyl-N'-(2-methylbutan-2-yl)propane-1,3-diamine
CID 63964315
1-N,2-dimethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]pentane-1,2-diamine
CID 63274555
1-N,1-N-dicyclohexyl-2-methylpentane-1,2-diamine
CID 60853322

Frequently Asked Questions

What is the IUPAC name of 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
The IUPAC name of 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine (CID 63960051) is 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine.
What is the SMILES notation for 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
The canonical SMILES for 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine is CCCC(C)(N)CN(C)C(C)(C)CC.
What is the InChIKey of 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
The InChIKey is ZFHTVRYKTYQTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-7-9-12(5,13)10-14(6)11(3,4)8-2/h7-10,13H2,1-6H3.
What are the key properties of 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine?
1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine has a molecular weight of 200.37 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-dimethyl-1-N-(2-methylbutan-2-yl)pentane-1,2-diamine is sourced from PubChem (CID 63960051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).