N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine

C38H50N4 — CID 58570196

IUPACN-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
SMILESCCCN(CCN(CCN(C)Cc1ccccc1)CCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C38H50N4/c1-3-24-41(32-36-18-10-5-11-19-36)29-27-40(26-25-39(2)31-35-16-8-4-9-17-35)28-30-42(33-37-20-12-6-13-21-37)34-38-22-14-7-15-23-38/h4-23H,3,24-34H2,1-2H3
InChIKeyVUJBWPSUXIENOY-UHFFFAOYSA-N
MW562.85 g/mol
LogP7.03
Rot. Bonds19

About N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine

N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine (PubChem CID 58570196) has the molecular formula C38H50N4 and a molecular weight of 562.85 g/mol. Its IUPAC name is N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
PubChem CID58570196
Molecular FormulaC38H50N4
Molecular Weight562.85 g/mol
Exact Mass562.40
IUPAC NameN-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine
SMILESCCCN(CCN(CCN(C)Cc1ccccc1)CCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C38H50N4/c1-3-24-41(32-36-18-10-5-11-19-36)29-27-40(26-25-39(2)31-35-16-8-4-9-17-35)28-30-42(33-37-20-12-6-13-21-37)34-38-22-14-7-15-23-38/h4-23H,3,24-34H2,1-2H3
InChIKeyVUJBWPSUXIENOY-UHFFFAOYSA-N
XLogP7.03
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.85
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine with MolForge

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Related Compounds

N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
N-benzyl-N-propylhexan-1-amine
CID 123983090
N-methyl-N-[[4-[[methyl(propyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 138737865
4-[benzyl(propyl)amino]butan-1-ol
CID 130822527
N',N'-dibenzyl-N,N-bis(2-chloroethyl)ethane-1,2-diamine;dihydrochloride
CID 138396514
N-benzyl-N-(methoxymethyl)propan-1-amine
CID 90983787
N-benzyl-N-methylpent-3-yn-1-amine
CID 145321496
N'-benzyl-N-phenyl-N'-propylethane-1,2-diamine
CID 90274197
N,N-dibenzyldodecan-1-amine
CID 11508874
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine?
The IUPAC name of N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine (CID 58570196) is N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine.
What is the SMILES notation for N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine?
The canonical SMILES for N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine is CCCN(CCN(CCN(C)Cc1ccccc1)CCN(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine?
The InChIKey is VUJBWPSUXIENOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H50N4/c1-3-24-41(32-36-18-10-5-11-19-36)29-27-40(26-25-39(2)31-35-16-8-4-9-17-35)28-30-42(33-37-20-12-6-13-21-37)34-38-22-14-7-15-23-38/h4-23H,3,24-34H2,1-2H3.
What are the key properties of N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine?
N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine has a molecular weight of 562.85 g/mol, XLogP of 7.03, 19 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-[benzyl(propyl)amino]ethyl]-N'-[2-(dibenzylamino)ethyl]-N-methylethane-1,2-diamine is sourced from PubChem (CID 58570196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).