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

C13H23N3 — CID 60893556

IUPACN'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
SMILESCC(NCCCN)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H23N3/c1-11(15-10-4-9-14)12-5-7-13(8-6-12)16(2)3/h5-8,11,15H,4,9-10,14H2,1-3H3
InChIKeyNRWCPZJGHTUQDA-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.75
Rot. Bonds6

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

N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine (PubChem CID 60893556) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
PubChem CID60893556
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine
SMILESCC(NCCCN)c1ccc(N(C)C)cc1
InChIInChI=1S/C13H23N3/c1-11(15-10-4-9-14)12-5-7-13(8-6-12)16(2)3/h5-8,11,15H,4,9-10,14H2,1-3H3
InChIKeyNRWCPZJGHTUQDA-UHFFFAOYSA-N
XLogP1.75
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[1-(4-chlorophenyl)ethyl]propane-1,3-diamine
CID 60889323
4-[1-(3-aminopropylamino)ethyl]phenol
CID 60889322
N,N-dimethyl-4-[1-(3-methylsulfonylpropylamino)ethyl]aniline
CID 54904902
N-[1-[4-(dimethylamino)phenyl]ethyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62635758
N'-[1-(4-methylsulfanylphenyl)ethyl]propane-1,3-diamine
CID 60890077
ethyl 4-[1-[4-(dimethylamino)phenyl]ethylamino]butanoate
CID 64578318
3-[1-[4-(dimethylamino)phenyl]ethylamino]propanenitrile
CID 43771530
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
tert-butyl N-[3-[1-[4-(dimethylamino)phenyl]ethylamino]propyl]carbamate
CID 103781090
4-[1-[2-(4-fluorophenyl)ethylamino]ethyl]-N,N-dimethylaniline
CID 43758274
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
1-N-[1-[4-(dimethylamino)phenyl]ethyl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 43767769

Frequently Asked Questions

What is the IUPAC name of N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine?
The IUPAC name of N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine (CID 60893556) is N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine.
What is the SMILES notation for N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine?
The canonical SMILES for N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine is CC(NCCCN)c1ccc(N(C)C)cc1.
What is the InChIKey of N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine?
The InChIKey is NRWCPZJGHTUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(15-10-4-9-14)12-5-7-13(8-6-12)16(2)3/h5-8,11,15H,4,9-10,14H2,1-3H3.
What are the key properties of N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine?
N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[4-(dimethylamino)phenyl]ethyl]propane-1,3-diamine is sourced from PubChem (CID 60893556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).