N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine

C16H28N2 — CID 65233155

IUPACN'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC(CN)C(C)C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-5-11-18(13-15(12-17)14(2)3)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13,17H2,1-3H3
InChIKeyWHOBPDBSLGKVDG-UHFFFAOYSA-N
MW248.41 g/mol
LogP3.52
Rot. Bonds8

About N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine

N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65233155) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID65233155
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine
SMILESCCCCN(CC(CN)C(C)C)c1ccccc1
InChIInChI=1S/C16H28N2/c1-4-5-11-18(13-15(12-17)14(2)3)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13,17H2,1-3H3
InChIKeyWHOBPDBSLGKVDG-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-heptyl-N-pentylaniline
CID 154378615
N-[[4-(aminomethyl)phenyl]methyl]-N-butylaniline
CID 64584404
1-N-butyl-1-N-phenyl-2-N-propylbutane-1,2-diamine
CID 64585190
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
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Frequently Asked Questions

What is the IUPAC name of N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine (CID 65233155) is N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine is CCCCN(CC(CN)C(C)C)c1ccccc1.
What is the InChIKey of N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is WHOBPDBSLGKVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-4-5-11-18(13-15(12-17)14(2)3)16-9-7-6-8-10-16/h6-10,14-15H,4-5,11-13,17H2,1-3H3.
What are the key properties of N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine?
N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 248.41 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N'-phenyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65233155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).