N,N-dibenzyl-2-methylbut-2-en-1-amine

C19H23N — CID 78088479

IUPACN,N-dibenzyl-2-methylbut-2-en-1-amine
SMILESCC=C(C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23N/c1-3-17(2)14-20(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h3-13H,14-16H2,1-2H3
InChIKeyDQDHELJRYJEPHP-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.66
Rot. Bonds6

About N,N-dibenzyl-2-methylbut-2-en-1-amine

N,N-dibenzyl-2-methylbut-2-en-1-amine (PubChem CID 78088479) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N,N-dibenzyl-2-methylbut-2-en-1-amine.

Molecular Properties

Compound NameN,N-dibenzyl-2-methylbut-2-en-1-amine
PubChem CID78088479
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN,N-dibenzyl-2-methylbut-2-en-1-amine
SMILESCC=C(C)CN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H23N/c1-3-17(2)14-20(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h3-13H,14-16H2,1-2H3
InChIKeyDQDHELJRYJEPHP-UHFFFAOYSA-N
XLogP4.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-[1-[benzyl-[(2Z)-2-hydroxyiminopropyl]amino]propan-2-ylidene]hydroxylamine
CID 134858396
N-[1-[benzyl(2-hydroxyiminopropyl)amino]propan-2-ylidene]hydroxylamine
CID 71426108
[(Z)-2-methylbut-2-enyl]benzene
CID 59870366
1-[benzyl-[(2-iodophenyl)methyl]amino]propan-2-one
CID 86212256
(E)-N-benzyl-2-bromo-N-prop-2-enylbut-2-en-1-amine
CID 10612741
1-[benzyl(2-hydroxyethyl)amino]propan-2-one
CID 20674857
4-[[[(E)-2-methylbut-2-enyl]-(2-phenylsulfanylethyl)amino]methyl]benzenesulfonamide
CID 143852645
benzene;N,N-dimethyl-1-phenylmethanamine;ethane
CID 90785154
2-(dibenzylamino)-N-methoxy-N-methylacetamide
CID 15314218
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522
N,N-dibenzylpropan-1-amine
CID 10840212
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470

Frequently Asked Questions

What is the IUPAC name of N,N-dibenzyl-2-methylbut-2-en-1-amine?
The IUPAC name of N,N-dibenzyl-2-methylbut-2-en-1-amine (CID 78088479) is N,N-dibenzyl-2-methylbut-2-en-1-amine.
What is the SMILES notation for N,N-dibenzyl-2-methylbut-2-en-1-amine?
The canonical SMILES for N,N-dibenzyl-2-methylbut-2-en-1-amine is CC=C(C)CN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N-dibenzyl-2-methylbut-2-en-1-amine?
The InChIKey is DQDHELJRYJEPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-3-17(2)14-20(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h3-13H,14-16H2,1-2H3.
What are the key properties of N,N-dibenzyl-2-methylbut-2-en-1-amine?
N,N-dibenzyl-2-methylbut-2-en-1-amine has a molecular weight of 265.40 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-methylbut-2-en-1-amine is sourced from PubChem (CID 78088479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).