N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C15H27N3 — CID 63726698

IUPACN'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCNCc1ccccc1
InChIInChI=1S/C15H27N3/c1-17(2)11-7-12-18(3)13-10-16-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3
InChIKeyIYIWYUFHTYLSBH-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.66
Rot. Bonds9

About N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63726698) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63726698
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CCNCc1ccccc1
InChIInChI=1S/C15H27N3/c1-17(2)11-7-12-18(3)13-10-16-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3
InChIKeyIYIWYUFHTYLSBH-UHFFFAOYSA-N
XLogP1.66
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Plerixafor
CID 65015
N-Methylbenzylamine
CID 7669
Benzyltrimethylammonium chloride
CID 5963
N-Methylbenzeneethanamine
CID 11503
N,N-Dimethylbenzylamine
CID 7681
N-Benzylphenethylamine
CID 65055
Benzyltrimethylammonium hydroxide
CID 66854
1-Benzylpiperazine
CID 75994
N-Ethylamphetamine
CID 9982
N-ethyl-1-phenylcyclohexanamine
CID 16622
Benzhydrylpiperazine
CID 70048
Dibenzylamine
CID 7656

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63726698) is N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CCNCc1ccccc1.
What is the InChIKey of N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is IYIWYUFHTYLSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-17(2)11-7-12-18(3)13-10-16-14-15-8-5-4-6-9-15/h4-6,8-9,16H,7,10-14H2,1-3H3.
What are the key properties of N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 1.66, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzylamino)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63726698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).