N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine

C14H25N3O — CID 117097736

IUPACN'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
SMILESCN(C)CCCOc1ccc(NCCCN)cc1
InChIInChI=1S/C14H25N3O/c1-17(2)11-4-12-18-14-7-5-13(6-8-14)16-10-3-9-15/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyUCSWUMBISRTFFD-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.78
Rot. Bonds9

About N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine

N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine (PubChem CID 117097736) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
PubChem CID117097736
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC NameN'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine
SMILESCN(C)CCCOc1ccc(NCCCN)cc1
InChIInChI=1S/C14H25N3O/c1-17(2)11-4-12-18-14-7-5-13(6-8-14)16-10-3-9-15/h5-8,16H,3-4,9-12,15H2,1-2H3
InChIKeyUCSWUMBISRTFFD-UHFFFAOYSA-N
XLogP1.78
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-but-3-enoxyphenyl)propane-1,3-diamine
CID 117097752
4-[2-(dimethylamino)ethoxy]-N-(2-methoxyethyl)aniline
CID 82539793
4-[4-[2-(dimethylamino)ethoxy]anilino]butanoic acid
CID 82539509
3-[4-(3-aminopropylamino)phenoxy]-N-propan-2-ylpropanamide
CID 117097751
4-butoxy-N-butylaniline
CID 15112153
N'-(4-prop-2-enoxyphenyl)propane-1,3-diamine
CID 117097718
4-[2-(dimethylamino)ethoxy]-N-(3-methoxy-3-methylbutyl)aniline
CID 106675367
4-amino-N-[4-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 54862447
4-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-methoxypentane-1,4-diamine
CID 103389195
3-[4-(aminomethyl)-3-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524601
4-amino-N-[[4-[3-(dimethylamino)propoxy]phenyl]methyl]butanamide
CID 119877301
N'-[3-[4-(aminomethyl)phenoxy]propyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694110

Frequently Asked Questions

What is the IUPAC name of N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine?
The IUPAC name of N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine (CID 117097736) is N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine?
The canonical SMILES for N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine is CN(C)CCCOc1ccc(NCCCN)cc1.
What is the InChIKey of N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine?
The InChIKey is UCSWUMBISRTFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-17(2)11-4-12-18-14-7-5-13(6-8-14)16-10-3-9-15/h5-8,16H,3-4,9-12,15H2,1-2H3.
What are the key properties of N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine?
N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine has a molecular weight of 251.37 g/mol, XLogP of 1.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[3-(dimethylamino)propoxy]phenyl]propane-1,3-diamine is sourced from PubChem (CID 117097736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).