3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine

C13H23N3 — CID 115119666

IUPAC3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
SMILESCCCc1ccc(CNCC(N)CN)cc1
InChIInChI=1S/C13H23N3/c1-2-3-11-4-6-12(7-5-11)9-16-10-13(15)8-14/h4-7,13,16H,2-3,8-10,14-15H2,1H3
InChIKeyYZYZGNYTWJBACX-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.01
Rot. Bonds7

About 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine

3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine (PubChem CID 115119666) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine.

Molecular Properties

Compound Name3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
PubChem CID115119666
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine
SMILESCCCc1ccc(CNCC(N)CN)cc1
InChIInChI=1S/C13H23N3/c1-2-3-11-4-6-12(7-5-11)9-16-10-13(15)8-14/h4-7,13,16H,2-3,8-10,14-15H2,1H3
InChIKeyYZYZGNYTWJBACX-UHFFFAOYSA-N
XLogP1.01
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[(4-phenylphenyl)methyl]propane-1,2,3-triamine
CID 115119687
N-[(4-propylphenyl)methyl]propan-1-amine
CID 60657533
3-N-[(6-methylnaphthalen-2-yl)methyl]propane-1,2,3-triamine
CID 115119779
3-N-[(4-ethoxy-3-methylphenyl)methyl]propane-1,2,3-triamine
CID 115119699
1-N-[(4-chlorophenyl)methyl]butane-1,2-diamine
CID 83960586
methyl 2-[[(4-propylphenyl)methylamino]methyl]butanoate
CID 115253125
3-N-[2-(4-tert-butylphenyl)ethyl]propane-1,2,3-triamine
CID 115119935
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945
1-N-[(4-fluorophenyl)methyl]hexane-1,2-diamine
CID 83960594
2-[(4-fluorophenyl)methylamino]-1-(4-propylphenyl)ethanol
CID 82316019
2-[(4-propylphenyl)methylamino]ethanethiol
CID 115223914
N'-[(4-ethylphenyl)methyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442907

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine?
The IUPAC name of 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine (CID 115119666) is 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine.
What is the SMILES notation for 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine?
The canonical SMILES for 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine is CCCc1ccc(CNCC(N)CN)cc1.
What is the InChIKey of 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine?
The InChIKey is YZYZGNYTWJBACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-2-3-11-4-6-12(7-5-11)9-16-10-13(15)8-14/h4-7,13,16H,2-3,8-10,14-15H2,1H3.
What are the key properties of 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine?
3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine has a molecular weight of 221.35 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4-propylphenyl)methyl]propane-1,2,3-triamine is sourced from PubChem (CID 115119666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).