N-benzylbut-1-en-2-amine

C11H15N — CID 12705420

IUPACN-benzylbut-1-en-2-amine
SMILESC=C(CC)NCc1ccccc1
InChIInChI=1S/C11H15N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-8,12H,2-3,9H2,1H3
InChIKeyRCOWVOJJDAUKQM-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.70
Rot. Bonds4

About N-benzylbut-1-en-2-amine

N-benzylbut-1-en-2-amine (PubChem CID 12705420) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-benzylbut-1-en-2-amine.

Molecular Properties

Compound NameN-benzylbut-1-en-2-amine
PubChem CID12705420
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-benzylbut-1-en-2-amine
SMILESC=C(CC)NCc1ccccc1
InChIInChI=1S/C11H15N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-8,12H,2-3,9H2,1H3
InChIKeyRCOWVOJJDAUKQM-UHFFFAOYSA-N
XLogP2.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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N-benzyl-2-methylprop-2-enamide;hydrazine
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N-benzylethanamine;tris(yttrium)
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N-benzylacetamide;ethanamine
CID 22257034
(2R)-N-benzyl-3-methoxy-2-methylpropanamide
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1-(benzylamino)-3-methylidenepentan-2-ol
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2-methylidenebutylbenzene
CID 10964655
1-benzyl-3-propylthiourea
CID 12725927
3-benzyl-1,1-diethylthiourea
CID 10922120
benzene;ethyl N-benzylcarbamate
CID 67715166

Frequently Asked Questions

What is the IUPAC name of N-benzylbut-1-en-2-amine?
The IUPAC name of N-benzylbut-1-en-2-amine (CID 12705420) is N-benzylbut-1-en-2-amine.
What is the SMILES notation for N-benzylbut-1-en-2-amine?
The canonical SMILES for N-benzylbut-1-en-2-amine is C=C(CC)NCc1ccccc1.
What is the InChIKey of N-benzylbut-1-en-2-amine?
The InChIKey is RCOWVOJJDAUKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-3-10(2)12-9-11-7-5-4-6-8-11/h4-8,12H,2-3,9H2,1H3.
What are the key properties of N-benzylbut-1-en-2-amine?
N-benzylbut-1-en-2-amine has a molecular weight of 161.25 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylbut-1-en-2-amine is sourced from PubChem (CID 12705420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).