1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine

C17H38N2 — CID 83042225

IUPAC1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
SMILESCCCCN(CCCC)C(CCC)CNC(C)(C)C
InChIInChI=1S/C17H38N2/c1-7-10-13-19(14-11-8-2)16(12-9-3)15-18-17(4,5)6/h16,18H,7-15H2,1-6H3
InChIKeyTYYUXRSEALSPJW-UHFFFAOYSA-N
MW270.50 g/mol
LogP4.45
Rot. Bonds11

About 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine

1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine (PubChem CID 83042225) has the molecular formula C17H38N2 and a molecular weight of 270.50 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
PubChem CID83042225
Molecular FormulaC17H38N2
Molecular Weight270.50 g/mol
Exact Mass270.30
IUPAC Name1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine
SMILESCCCCN(CCCC)C(CCC)CNC(C)(C)C
InChIInChI=1S/C17H38N2/c1-7-10-13-19(14-11-8-2)16(12-9-3)15-18-17(4,5)6/h16,18H,7-15H2,1-6H3
InChIKeyTYYUXRSEALSPJW-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine (CID 83042225) is 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine is CCCCN(CCCC)C(CCC)CNC(C)(C)C.
What is the InChIKey of 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine?
The InChIKey is TYYUXRSEALSPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38N2/c1-7-10-13-19(14-11-8-2)16(12-9-3)15-18-17(4,5)6/h16,18H,7-15H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine?
1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine has a molecular weight of 270.50 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N,2-N-dibutylpentane-1,2-diamine is sourced from PubChem (CID 83042225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).