N-benzyl-N'-propan-2-ylpropane-1,3-diamine

C13H22N2 — CID 61150632

IUPACN-benzyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCNCc1ccccc1
InChIInChI=1S/C13H22N2/c1-12(2)15-10-6-9-14-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3
InChIKeyKPUGWSDMFFQOCH-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.16
Rot. Bonds7

About N-benzyl-N'-propan-2-ylpropane-1,3-diamine

N-benzyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 61150632) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-benzyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-benzyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID61150632
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-benzyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)NCCCNCc1ccccc1
InChIInChI=1S/C13H22N2/c1-12(2)15-10-6-9-14-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3
InChIKeyKPUGWSDMFFQOCH-UHFFFAOYSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-benzyl-N'-propan-2-ylpropane-1,3-diamine 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

1-[5-(benzylamino)pentylamino]ethanol
CID 23217639
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
azane;N-benzylbutan-1-amine
CID 175388745
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
N-[(2-methyl-4-pyridinyl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 106752892
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
4-(benzylamino)butane-1-selenol
CID 175343698

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-benzyl-N'-propan-2-ylpropane-1,3-diamine (CID 61150632) is N-benzyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-benzyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-benzyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)NCCCNCc1ccccc1.
What is the InChIKey of N-benzyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is KPUGWSDMFFQOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-12(2)15-10-6-9-14-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3.
What are the key properties of N-benzyl-N'-propan-2-ylpropane-1,3-diamine?
N-benzyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 61150632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).