1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine

C13H30N2 — CID 154626201

IUPAC1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
SMILESCCCC(NC(C)CC)NC(C)(C)CC
InChIInChI=1S/C13H30N2/c1-7-10-12(14-11(4)8-2)15-13(5,6)9-3/h11-12,14-15H,7-10H2,1-6H3
InChIKeyPAKUVETVKOFCNX-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.28
Rot. Bonds8

About 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine

1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine (PubChem CID 154626201) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
PubChem CID154626201
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine
SMILESCCCC(NC(C)CC)NC(C)(C)CC
InChIInChI=1S/C13H30N2/c1-7-10-12(14-11(4)8-2)15-13(5,6)9-3/h11-12,14-15H,7-10H2,1-6H3
InChIKeyPAKUVETVKOFCNX-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine?
The IUPAC name of 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine (CID 154626201) is 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine.
What is the SMILES notation for 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine?
The canonical SMILES for 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine is CCCC(NC(C)CC)NC(C)(C)CC.
What is the InChIKey of 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine?
The InChIKey is PAKUVETVKOFCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-7-10-12(14-11(4)8-2)15-13(5,6)9-3/h11-12,14-15H,7-10H2,1-6H3.
What are the key properties of 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine?
1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-1-N'-(2-methylbutan-2-yl)butane-1,1-diamine is sourced from PubChem (CID 154626201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).