2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine

C17H38N2 — CID 79490524

IUPAC2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CC(C)C)C(CC)CC
InChIInChI=1S/C17H38N2/c1-8-11-18-12-15(6)16(7)19(13-14(4)5)17(9-2)10-3/h14-18H,8-13H2,1-7H3
InChIKeyKBAYWCWCYMTNKI-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.16
Rot. Bonds11

About 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine

2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine (PubChem CID 79490524) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine
PubChem CID79490524
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(CC(C)C)C(CC)CC
InChIInChI=1S/C17H38N2/c1-8-11-18-12-15(6)16(7)19(13-14(4)5)17(9-2)10-3/h14-18H,8-13H2,1-7H3
InChIKeyKBAYWCWCYMTNKI-UHFFFAOYSA-N
XLogP4.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.50
LogP ≤ 54.16
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-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine (CID 79490524) is 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine is CCCNCC(C)C(C)N(CC(C)C)C(CC)CC.
What is the InChIKey of 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine?
The InChIKey is KBAYWCWCYMTNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-8-11-18-12-15(6)16(7)19(13-14(4)5)17(9-2)10-3/h14-18H,8-13H2,1-7H3.
What are the key properties of 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine?
2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.16, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-(2-methylpropyl)-3-N-pentan-3-yl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79490524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).