N-benzyl-N-methylbut-3-en-1-amine

C12H17N — CID 10702410

IUPACN-benzyl-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)Cc1ccccc1
InChIInChI=1S/C12H17N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3
InChIKeyBXQLKPVDGLBHSX-UHFFFAOYSA-N
MW175.27 g/mol
LogP2.69
Rot. Bonds5

About N-benzyl-N-methylbut-3-en-1-amine

N-benzyl-N-methylbut-3-en-1-amine (PubChem CID 10702410) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is N-benzyl-N-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-benzyl-N-methylbut-3-en-1-amine
PubChem CID10702410
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC NameN-benzyl-N-methylbut-3-en-1-amine
SMILESC=CCCN(C)Cc1ccccc1
InChIInChI=1S/C12H17N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3
InChIKeyBXQLKPVDGLBHSX-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 52.69
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

2-[benzyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072751
N'-benzyl-N'-methylethane-1,2-diamine
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3-[benzyl(but-3-enyl)amino]-4-methylcyclobut-3-ene-1,2-dione
CID 101428548
1-N-benzyl-2-N-but-3-enyl-1-N-methylpropane-1,2-diamine
CID 130563719
N-benzyl-N-but-3-enylbut-2-enamide
CID 72969780
N-methyl-N-[(4-phenylphenyl)methyl]prop-2-en-1-amine
CID 57106093
2-[benzyl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 54808897
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136
methyl 5-[benzyl(methyl)amino]pent-2-enoate
CID 59035143
N,N-dibenzyl-2-[benzyl(but-3-enyl)amino]acetamide
CID 10949354
magnesium;N-benzyl-N-methylpropan-1-amine;chloride
CID 88793658
N-benzyl-3-bromo-N-methylpropan-1-amine
CID 61288943

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methylbut-3-en-1-amine?
The IUPAC name of N-benzyl-N-methylbut-3-en-1-amine (CID 10702410) is N-benzyl-N-methylbut-3-en-1-amine.
What is the SMILES notation for N-benzyl-N-methylbut-3-en-1-amine?
The canonical SMILES for N-benzyl-N-methylbut-3-en-1-amine is C=CCCN(C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-methylbut-3-en-1-amine?
The InChIKey is BXQLKPVDGLBHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-3-4-10-13(2)11-12-8-6-5-7-9-12/h3,5-9H,1,4,10-11H2,2H3.
What are the key properties of N-benzyl-N-methylbut-3-en-1-amine?
N-benzyl-N-methylbut-3-en-1-amine has a molecular weight of 175.27 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methylbut-3-en-1-amine is sourced from PubChem (CID 10702410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).