2-benzylbuta-2,3-dien-1-amine

C11H13N — CID 12937829

IUPAC2-benzylbuta-2,3-dien-1-amine
SMILESC=C=C(CN)Cc1ccccc1
InChIInChI=1S/C11H13N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7H,1,8-9,12H2
InChIKeyVKCCNOPDNPIYMS-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.90
Rot. Bonds3

About 2-benzylbuta-2,3-dien-1-amine

2-benzylbuta-2,3-dien-1-amine (PubChem CID 12937829) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-benzylbuta-2,3-dien-1-amine.

Molecular Properties

Compound Name2-benzylbuta-2,3-dien-1-amine
PubChem CID12937829
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name2-benzylbuta-2,3-dien-1-amine
SMILESC=C=C(CN)Cc1ccccc1
InChIInChI=1S/C11H13N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7H,1,8-9,12H2
InChIKeyVKCCNOPDNPIYMS-UHFFFAOYSA-N
XLogP1.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzylbuta-2,3-dien-1-amine;hydrochloride
CID 88786997
1,4-diphenylbut-2-ene-2,3-diamine
CID 67744417
(NE)-N-(1-amino-3-phenylpropan-2-ylidene)hydroxylamine;hydrochloride
CID 88690569
azane;(E)-2-benzyl-3-fluoroprop-2-en-1-amine
CID 70522595
2-methylimino-2-(1-phenylbuta-2,3-dien-2-ylamino)acetamide
CID 176529425
(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
1-phenylbut-3-yn-2-one
CID 15412866
ethene;3-phenylpropane-1,2-diamine
CID 175295695
formaldehyde;2-phenylacetic acid
CID 70638018
2-benzyl-3-phenylprop-1-ene-1,1-diamine
CID 23499817
6-amino-1-phenylhexan-2-one
CID 57063081
phenylmethanamine
CID 19864074

Frequently Asked Questions

What is the IUPAC name of 2-benzylbuta-2,3-dien-1-amine?
The IUPAC name of 2-benzylbuta-2,3-dien-1-amine (CID 12937829) is 2-benzylbuta-2,3-dien-1-amine.
What is the SMILES notation for 2-benzylbuta-2,3-dien-1-amine?
The canonical SMILES for 2-benzylbuta-2,3-dien-1-amine is C=C=C(CN)Cc1ccccc1.
What is the InChIKey of 2-benzylbuta-2,3-dien-1-amine?
The InChIKey is VKCCNOPDNPIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-7H,1,8-9,12H2.
What are the key properties of 2-benzylbuta-2,3-dien-1-amine?
2-benzylbuta-2,3-dien-1-amine has a molecular weight of 159.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylbuta-2,3-dien-1-amine is sourced from PubChem (CID 12937829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).