2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine

C15H34N2 — CID 63492058

IUPAC2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
SMILESCCCCN(CCCC)C(CC)CNCCC
InChIInChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)15(8-4)14-16-11-7-3/h15-16H,5-14H2,1-4H3
InChIKeyITPPNBMDRZKUFZ-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.67
Rot. Bonds12

About 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine

2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine (PubChem CID 63492058) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
PubChem CID63492058
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine
SMILESCCCCN(CCCC)C(CC)CNCCC
InChIInChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)15(8-4)14-16-11-7-3/h15-16H,5-14H2,1-4H3
InChIKeyITPPNBMDRZKUFZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.67
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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Related Compounds

2-N,2-N-bis(2-methylpropyl)-1-N-propylbutane-1,2-diamine
CID 55074297
N'-butan-2-yl-N'-butyl-N-propylbutane-1,4-diamine
CID 55069340
3-(dibutylamino)pentanal
CID 22611163
2-N-butan-2-yl-2-N-ethyl-1-N-propylbutane-1,2-diamine
CID 62420889
2-N-butyl-1-N,2-N-diethylpentane-1,2-diamine
CID 83043720
3-N,3-N-dibutyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 55195808
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
CID 83042225
2-N,2-N-dimethyl-1-N-octylbutane-1,2-diamine;ethane;propane
CID 155599553
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
2,3-dimethyl-N-propylheptan-1-amine
CID 81015380
N'-(2-methoxyethyl)-N-(2-methylpropyl)-N'-pentan-3-ylbutane-1,4-diamine
CID 55072208
1-[2-methoxyethyl(pentan-3-yl)amino]-3-(propylamino)propan-2-ol
CID 55004747

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine?
The IUPAC name of 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine (CID 63492058) is 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine is CCCCN(CCCC)C(CC)CNCCC.
What is the InChIKey of 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine?
The InChIKey is ITPPNBMDRZKUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-5-9-12-17(13-10-6-2)15(8-4)14-16-11-7-3/h15-16H,5-14H2,1-4H3.
What are the key properties of 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine?
2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.67, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-1-N-propylbutane-1,2-diamine is sourced from PubChem (CID 63492058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).