N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine

C17H30N2 — CID 55070121

IUPACN-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(CCC)CCC)c1
InChIInChI=1S/C17H30N2/c1-4-10-18-14-16-8-7-9-17(13-16)15-19(11-5-2)12-6-3/h7-9,13,18H,4-6,10-12,14-15H2,1-3H3
InChIKeyJEIUGDIPGMFKHZ-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.81
Rot. Bonds10

About N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine

N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine (PubChem CID 55070121) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
PubChem CID55070121
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cccc(CN(CCC)CCC)c1
InChIInChI=1S/C17H30N2/c1-4-10-18-14-16-8-7-9-17(13-16)15-19(11-5-2)12-6-3/h7-9,13,18H,4-6,10-12,14-15H2,1-3H3
InChIKeyJEIUGDIPGMFKHZ-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62419099
N-[[3-[[2-ethoxyethyl(methyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 81067727
3-methoxy-N-methyl-N-[[3-(propylaminomethyl)phenyl]methyl]propan-1-amine
CID 63007765
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[(3-bromophenyl)methyl]-N-propylpropan-1-amine
CID 60684600
3-(propylaminomethyl)phenol
CID 10725714
N-[[3,5-bis[(dipropylamino)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 141138330
N,1-dimethyl-N-[[3-(propylaminomethyl)phenyl]methyl]piperidin-4-amine
CID 62423017
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N',N'-diethyl-N-[[3-(methoxymethyl)phenyl]methyl]ethane-1,2-diamine
CID 54896843
N-[[3-[(octylamino)methyl]phenyl]methyl]octan-1-amine
CID 10784784

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine (CID 55070121) is N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine is CCCNCc1cccc(CN(CCC)CCC)c1.
What is the InChIKey of N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine?
The InChIKey is JEIUGDIPGMFKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-4-10-18-14-16-8-7-9-17(13-16)15-19(11-5-2)12-6-3/h7-9,13,18H,4-6,10-12,14-15H2,1-3H3.
What are the key properties of N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine?
N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine has a molecular weight of 262.44 g/mol, XLogP of 3.81, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(dipropylamino)methyl]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 55070121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).