2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine

C15H34N2 — CID 55074297

IUPAC2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H34N2/c1-7-9-16-10-15(8-2)17(11-13(3)4)12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyMZCFIEYLAQJOEH-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.38
Rot. Bonds10

About 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine

2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine (PubChem CID 55074297) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
PubChem CID55074297
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
SMILESCCCNCC(CC)N(CC(C)C)CC(C)C
InChIInChI=1S/C15H34N2/c1-7-9-16-10-15(8-2)17(11-13(3)4)12-14(5)6/h13-16H,7-12H2,1-6H3
InChIKeyMZCFIEYLAQJOEH-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine (CID 55074297) is 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine is CCCNCC(CC)N(CC(C)C)CC(C)C.
What is the InChIKey of 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine?
The InChIKey is MZCFIEYLAQJOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-7-9-16-10-15(8-2)17(11-13(3)4)12-14(5)6/h13-16H,7-12H2,1-6H3.
What are the key properties of 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine?
2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 55074297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).