1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine

C14H24N2 — CID 23009471

IUPAC1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine
SMILESCCN(CC)CCC(C)Nc1ccccc1
InChIInChI=1S/C14H24N2/c1-4-16(5-2)12-11-13(3)15-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3
InChIKeyCTAUYOYLZKTKQR-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.22
Rot. Bonds7

About 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine

1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine (PubChem CID 23009471) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine
PubChem CID23009471
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine
SMILESCCN(CC)CCC(C)Nc1ccccc1
InChIInChI=1S/C14H24N2/c1-4-16(5-2)12-11-13(3)15-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3
InChIKeyCTAUYOYLZKTKQR-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.22
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,1-N-diethyl-3-N-phenylbutane-1,3-diamine?
The IUPAC name of 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine (CID 23009471) is 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine?
The canonical SMILES for 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine is CCN(CC)CCC(C)Nc1ccccc1.
What is the InChIKey of 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine?
The InChIKey is CTAUYOYLZKTKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-16(5-2)12-11-13(3)15-14-9-7-6-8-10-14/h6-10,13,15H,4-5,11-12H2,1-3H3.
What are the key properties of 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine?
1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-3-N-phenylbutane-1,3-diamine is sourced from PubChem (CID 23009471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).