2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine

C14H32N2 — CID 83043429

IUPAC2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)C(C)CC
InChIInChI=1S/C14H32N2/c1-7-9-14(11-15-10-12(3)4)16(6)13(5)8-2/h12-15H,7-11H2,1-6H3
InChIKeyHKUAILUCXAFEEJ-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.13
Rot. Bonds9

About 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine

2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine (PubChem CID 83043429) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
PubChem CID83043429
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine
SMILESCCCC(CNCC(C)C)N(C)C(C)CC
InChIInChI=1S/C14H32N2/c1-7-9-14(11-15-10-12(3)4)16(6)13(5)8-2/h12-15H,7-11H2,1-6H3
InChIKeyHKUAILUCXAFEEJ-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The IUPAC name of 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine (CID 83043429) is 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The canonical SMILES for 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine is CCCC(CNCC(C)C)N(C)C(C)CC.
What is the InChIKey of 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
The InChIKey is HKUAILUCXAFEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-7-9-14(11-15-10-12(3)4)16(6)13(5)8-2/h12-15H,7-11H2,1-6H3.
What are the key properties of 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine?
2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-2-N-methyl-1-N-(2-methylpropyl)pentane-1,2-diamine is sourced from PubChem (CID 83043429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).