1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine

C17H38N2 — CID 83054297

IUPAC1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CCC)CNCC(C)C
InChIInChI=1S/C17H38N2/c1-7-9-10-12-19(16(5)6)17(11-8-2)14-18-13-15(3)4/h15-18H,7-14H2,1-6H3
InChIKeyTUMNYCGAJRQLGX-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.30
Rot. Bonds12

About 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine

1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine (PubChem CID 83054297) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
PubChem CID83054297
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine
SMILESCCCCCN(C(C)C)C(CCC)CNCC(C)C
InChIInChI=1S/C17H38N2/c1-7-9-10-12-19(16(5)6)17(11-8-2)14-18-13-15(3)4/h15-18H,7-14H2,1-6H3
InChIKeyTUMNYCGAJRQLGX-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.30
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 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
The IUPAC name of 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine (CID 83054297) is 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
The canonical SMILES for 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine is CCCCCN(C(C)C)C(CCC)CNCC(C)C.
What is the InChIKey of 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
The InChIKey is TUMNYCGAJRQLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-9-10-12-19(16(5)6)17(11-8-2)14-18-13-15(3)4/h15-18H,7-14H2,1-6H3.
What are the key properties of 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine?
1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.30, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methylpropyl)-2-N-pentyl-2-N-propan-2-ylpentane-1,2-diamine is sourced from PubChem (CID 83054297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).