N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine

C14H24N2 — CID 62573632

IUPACN-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-11-16(4-2)12-10-15-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyWIFJMQKNBIPMPD-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.51
Rot. Bonds8

About N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine

N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine (PubChem CID 62573632) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
PubChem CID62573632
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-benzyl-N'-ethyl-N'-propylethane-1,2-diamine
SMILESCCCN(CC)CCNCc1ccccc1
InChIInChI=1S/C14H24N2/c1-3-11-16(4-2)12-10-15-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3
InChIKeyWIFJMQKNBIPMPD-UHFFFAOYSA-N
XLogP2.51
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N-(furan-3-ylmethyl)-N'-propylethane-1,2-diamine
CID 62575992
N-benzylpropan-1-amine;ethane;propane
CID 145164103
4-[[2-[ethyl(propyl)amino]ethylamino]methyl]benzamide
CID 103720708
N-benzyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 62561843
N'-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720680
N',N'-diethyl-N-(2-phenylethyl)ethane-1,2-diamine
CID 12882439
N'-benzyl-N-[2-[benzyl-[2-(benzylamino)ethyl]amino]ethyl]ethane-1,2-diamine
CID 69031173
N,N-diethylpropan-1-amine;ethylbenzene
CID 142078527
N'-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-N'-propylethane-1,2-diamine
CID 103720781
2-chloro-4-[[2-[ethyl(propyl)amino]ethylamino]methyl]phenol
CID 113247970
N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N',N'-diethyl-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;dihydrochloride
CID 17294526

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine (CID 62573632) is N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine is CCCN(CC)CCNCc1ccccc1.
What is the InChIKey of N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine?
The InChIKey is WIFJMQKNBIPMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-11-16(4-2)12-10-15-13-14-8-6-5-7-9-14/h5-9,15H,3-4,10-13H2,1-2H3.
What are the key properties of N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine?
N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-ethyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 62573632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).