2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine

C13H30N2 — CID 62558337

IUPAC2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCCCN(C)C(C)CNC(C)(C)CC
InChIInChI=1S/C13H30N2/c1-7-9-10-15(6)12(3)11-14-13(4,5)8-2/h12,14H,7-11H2,1-6H3
InChIKeyZVPGWKLXVQQDRT-UHFFFAOYSA-N
MW214.40 g/mol
LogP2.88
Rot. Bonds8

About 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine

2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (PubChem CID 62558337) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
PubChem CID62558337
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
SMILESCCCCN(C)C(C)CNC(C)(C)CC
InChIInChI=1S/C13H30N2/c1-7-9-10-15(6)12(3)11-14-13(4,5)8-2/h12,14H,7-11H2,1-6H3
InChIKeyZVPGWKLXVQQDRT-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-pentylpropane-1,2-diamine
CID 62569145
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-propylpropane-1,2-diamine
CID 62568783
2-N-methyl-1-N-(2-methylbutan-2-yl)-2-N-(2-methylsulfanylethyl)propane-1,2-diamine
CID 112666053
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 62568252
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
2-N-butyl-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62558184
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
1-N-tert-butyl-2-N-butyl-2-N-methylpentane-1,2-diamine
CID 83042715
4-N-butyl-4-N-methyl-1-N-(2-methylpropyl)pentane-1,4-diamine
CID 62425136
N-(1-chloropropan-2-yl)-N-methylbutan-1-amine
CID 104555107
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The IUPAC name of 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine (CID 62558337) is 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine.
What is the SMILES notation for 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The canonical SMILES for 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is CCCCN(C)C(C)CNC(C)(C)CC.
What is the InChIKey of 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
The InChIKey is ZVPGWKLXVQQDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-9-10-15(6)12(3)11-14-13(4,5)8-2/h12,14H,7-11H2,1-6H3.
What are the key properties of 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine?
2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-2-N-methyl-1-N-(2-methylbutan-2-yl)propane-1,2-diamine is sourced from PubChem (CID 62558337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).