N'-benzyl-N'-but-3-enylpropane-1,3-diamine

C14H22N2 — CID 107367467

IUPACN'-benzyl-N'-but-3-enylpropane-1,3-diamine
SMILESC=CCCN(CCCN)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-2-3-11-16(12-7-10-15)13-14-8-5-4-6-9-14/h2,4-6,8-9H,1,3,7,10-13,15H2
InChIKeyUFFDMFVMGTUYSL-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.41
Rot. Bonds8

About N'-benzyl-N'-but-3-enylpropane-1,3-diamine

N'-benzyl-N'-but-3-enylpropane-1,3-diamine (PubChem CID 107367467) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-benzyl-N'-but-3-enylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-but-3-enylpropane-1,3-diamine
PubChem CID107367467
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-benzyl-N'-but-3-enylpropane-1,3-diamine
SMILESC=CCCN(CCCN)Cc1ccccc1
InChIInChI=1S/C14H22N2/c1-2-3-11-16(12-7-10-15)13-14-8-5-4-6-9-14/h2,4-6,8-9H,1,3,7,10-13,15H2
InChIKeyUFFDMFVMGTUYSL-UHFFFAOYSA-N
XLogP2.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N'-(3-fluoropropyl)propane-1,3-diamine
CID 107367851
N'-benzyl-N'-but-3-ynylpropane-1,3-diamine
CID 107367143
N',N'-dibenzylethane-1,2-diamine;ethenamine
CID 67896793
N'-benzyl-N'-(2-methylidenebutyl)propane-1,3-diamine
CID 107367618
N'-benzyl-N'-(3-ethylsulfonylpropyl)propane-1,3-diamine
CID 107367797
N'-benzyl-N'-(3-phenylprop-2-ynyl)propane-1,3-diamine
CID 107366878
N'-benzyl-N'-(2-ethoxyethyl)propane-1,3-diamine
CID 107367178
5-[3-aminopropyl(benzyl)amino]-2,2-dimethylpentanenitrile
CID 107367959
N'-benzyl-N'-[(2,6-difluorophenyl)methyl]propane-1,3-diamine
CID 107365236
N'-benzyl-N'-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine
CID 107367822
N'-benzyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 107366906
N'-benzyl-N'-[2-(trifluoromethoxy)ethyl]propane-1,3-diamine
CID 107367846

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-but-3-enylpropane-1,3-diamine?
The IUPAC name of N'-benzyl-N'-but-3-enylpropane-1,3-diamine (CID 107367467) is N'-benzyl-N'-but-3-enylpropane-1,3-diamine.
What is the SMILES notation for N'-benzyl-N'-but-3-enylpropane-1,3-diamine?
The canonical SMILES for N'-benzyl-N'-but-3-enylpropane-1,3-diamine is C=CCCN(CCCN)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-but-3-enylpropane-1,3-diamine?
The InChIKey is UFFDMFVMGTUYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-3-11-16(12-7-10-15)13-14-8-5-4-6-9-14/h2,4-6,8-9H,1,3,7,10-13,15H2.
What are the key properties of N'-benzyl-N'-but-3-enylpropane-1,3-diamine?
N'-benzyl-N'-but-3-enylpropane-1,3-diamine has a molecular weight of 218.34 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-but-3-enylpropane-1,3-diamine is sourced from PubChem (CID 107367467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).