1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine

C12H28N2 — CID 64682040

IUPAC1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine
SMILESCC(C)CC(C)N(C)CCC(C)(C)N
InChIInChI=1S/C12H28N2/c1-10(2)9-11(3)14(6)8-7-12(4,5)13/h10-11H,7-9,13H2,1-6H3
InChIKeyTVYMZBMLZOCNHF-UHFFFAOYSA-N
MW200.37 g/mol
LogP2.48
Rot. Bonds6

About 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine

1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine (PubChem CID 64682040) has the molecular formula C12H28N2 and a molecular weight of 200.37 g/mol. Its IUPAC name is 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine
PubChem CID64682040
Molecular FormulaC12H28N2
Molecular Weight200.37 g/mol
Exact Mass200.23
IUPAC Name1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine
SMILESCC(C)CC(C)N(C)CCC(C)(C)N
InChIInChI=1S/C12H28N2/c1-10(2)9-11(3)14(6)8-7-12(4,5)13/h10-11H,7-9,13H2,1-6H3
InChIKeyTVYMZBMLZOCNHF-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

2,2-dimethyl-4-[methyl(4-methylpentan-2-yl)amino]butanoic acid
CID 65248118
2-amino-2-ethyl-5-[methyl(4-methylpentan-2-yl)amino]pentanenitrile
CID 106803332
2-amino-2-methyl-3-[methyl(4-methylpentan-2-yl)amino]propan-1-ol
CID 64826194
tert-butyl 3-[methyl(4-methylpentan-2-yl)amino]propanoate
CID 115590841
3-amino-N,2,2,3-tetramethyl-N-(4-methylpentan-2-yl)butanamide
CID 65269995
2-methyl-5-[methyl(4-methylpentan-2-yl)amino]-2-(propylamino)pentan-1-ol
CID 64827986
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]butan-1-ol
CID 62266178
N,3,3-trimethyl-N-pentan-2-ylbutan-1-amine
CID 123310682
2-ethoxy-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 63070283
2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
CID 63027745
4-[4-aminobutan-2-yl(methyl)amino]-2-methylbutan-2-ol
CID 79361238
N-ethyl-N'-methyl-N'-(4-methylpentan-2-yl)butane-1,4-diamine
CID 62463209

Frequently Asked Questions

What is the IUPAC name of 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine?
The IUPAC name of 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine (CID 64682040) is 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine is CC(C)CC(C)N(C)CCC(C)(C)N.
What is the InChIKey of 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine?
The InChIKey is TVYMZBMLZOCNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2/c1-10(2)9-11(3)14(6)8-7-12(4,5)13/h10-11H,7-9,13H2,1-6H3.
What are the key properties of 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine?
1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-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 1-N,3-dimethyl-1-N-(4-methylpentan-2-yl)butane-1,3-diamine is sourced from PubChem (CID 64682040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).