N'-(1-phenylpropyl)-N-propylethane-1,2-diamine

C14H24N2 — CID 54810053

IUPACN'-(1-phenylpropyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNC(CC)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-10-15-11-12-16-14(4-2)13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3
InChIKeyZLYZWFANLZPACA-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.73
Rot. Bonds8

About N'-(1-phenylpropyl)-N-propylethane-1,2-diamine

N'-(1-phenylpropyl)-N-propylethane-1,2-diamine (PubChem CID 54810053) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-(1-phenylpropyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-phenylpropyl)-N-propylethane-1,2-diamine
PubChem CID54810053
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-(1-phenylpropyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNC(CC)c1ccccc1
InChIInChI=1S/C14H24N2/c1-3-10-15-11-12-16-14(4-2)13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3
InChIKeyZLYZWFANLZPACA-UHFFFAOYSA-N
XLogP2.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54807226
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
N'-(1-phenylpropyl)propane-1,3-diamine
CID 60889497
N-(1-phenylpropyl)but-3-yn-1-amine
CID 63654885
N-[(1S)-1,2-diphenylethyl]propan-1-amine
CID 36689865
5-(1-phenylpropylamino)pentan-1-ol
CID 62305220
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
N-(2,4-dimethylphenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54805959
N-(3-chlorophenyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54806636
(3S)-3-phenyl-3-(propylamino)propanoic acid
CID 66918405

Frequently Asked Questions

What is the IUPAC name of N'-(1-phenylpropyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(1-phenylpropyl)-N-propylethane-1,2-diamine (CID 54810053) is N'-(1-phenylpropyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(1-phenylpropyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(1-phenylpropyl)-N-propylethane-1,2-diamine is CCCNCCNC(CC)c1ccccc1.
What is the InChIKey of N'-(1-phenylpropyl)-N-propylethane-1,2-diamine?
The InChIKey is ZLYZWFANLZPACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-10-15-11-12-16-14(4-2)13-8-6-5-7-9-13/h5-9,14-16H,3-4,10-12H2,1-2H3.
What are the key properties of N'-(1-phenylpropyl)-N-propylethane-1,2-diamine?
N'-(1-phenylpropyl)-N-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-phenylpropyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 54810053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).