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

C18H24N2 — CID 90274197

IUPACN'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H24N2/c1-2-14-20(16-17-9-5-3-6-10-17)15-13-19-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyUXGKVXNHVKCLJQ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.01
Rot. Bonds8

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

N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine (PubChem CID 90274197) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
PubChem CID90274197
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
SMILESCCCN(CCNc1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H24N2/c1-2-14-20(16-17-9-5-3-6-10-17)15-13-19-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3
InChIKeyUXGKVXNHVKCLJQ-UHFFFAOYSA-N
XLogP4.01
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10840212
N'-benzyl-N-(4-bromophenyl)-N'-ethylethane-1,2-diamine
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N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-[[4-[(2-phenylhydrazinyl)methyl]phenyl]methyl]-N-propylpropan-1-amine
CID 169384974
N-benzyl-N-propylhexan-1-amine
CID 123983090
N'-(2-anilinoethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102994521
N'-benzyl-N'-ethyl-N-(2-fluorophenyl)ethane-1,2-diamine
CID 62575062
N-propylaniline
CID 12153
N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
CID 58570196
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
N',N'-bis(2-methylpropyl)-N-phenylethane-1,2-diamine
CID 61378856

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine?
The IUPAC name of N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine (CID 90274197) is N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine is CCCN(CCNc1ccccc1)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine?
The InChIKey is UXGKVXNHVKCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-14-20(16-17-9-5-3-6-10-17)15-13-19-18-11-7-4-8-12-18/h3-12,19H,2,13-16H2,1H3.
What are the key properties of N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine?
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine has a molecular weight of 268.40 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine is sourced from PubChem (CID 90274197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).