1-N-butyl-1-N-phenylpropane-1,2-diamine

C13H22N2 — CID 64584797

IUPAC1-N-butyl-1-N-phenylpropane-1,2-diamine
SMILESCCCCN(CC(C)N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-3-4-10-15(11-12(2)14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,14H2,1-2H3
InChIKeyIWNQGCSKDGSWHV-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.64
Rot. Bonds6

About 1-N-butyl-1-N-phenylpropane-1,2-diamine

1-N-butyl-1-N-phenylpropane-1,2-diamine (PubChem CID 64584797) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-N-butyl-1-N-phenylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butyl-1-N-phenylpropane-1,2-diamine
PubChem CID64584797
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-N-butyl-1-N-phenylpropane-1,2-diamine
SMILESCCCCN(CC(C)N)c1ccccc1
InChIInChI=1S/C13H22N2/c1-3-4-10-15(11-12(2)14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,14H2,1-2H3
InChIKeyIWNQGCSKDGSWHV-UHFFFAOYSA-N
XLogP2.64
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-1-N-phenylpropane-1,2-diamine?
The IUPAC name of 1-N-butyl-1-N-phenylpropane-1,2-diamine (CID 64584797) is 1-N-butyl-1-N-phenylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butyl-1-N-phenylpropane-1,2-diamine?
The canonical SMILES for 1-N-butyl-1-N-phenylpropane-1,2-diamine is CCCCN(CC(C)N)c1ccccc1.
What is the InChIKey of 1-N-butyl-1-N-phenylpropane-1,2-diamine?
The InChIKey is IWNQGCSKDGSWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-10-15(11-12(2)14)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,14H2,1-2H3.
What are the key properties of 1-N-butyl-1-N-phenylpropane-1,2-diamine?
1-N-butyl-1-N-phenylpropane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-1-N-phenylpropane-1,2-diamine is sourced from PubChem (CID 64584797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).