(E)-N-prop-1-en-2-ylbut-2-en-1-amine

C7H13N — CID 148701654

IUPAC(E)-N-prop-1-en-2-ylbut-2-en-1-amine
SMILESC=C(C)NC/C=C/C
InChIInChI=1S/C7H13N/c1-4-5-6-8-7(2)3/h4-5,8H,2,6H2,1,3H3/b5-4+
InChIKeyNVLZKHBCXSPGFE-SNAWJCMRSA-N
MW111.19 g/mol
LogP1.69
Rot. Bonds3

About (E)-N-prop-1-en-2-ylbut-2-en-1-amine

(E)-N-prop-1-en-2-ylbut-2-en-1-amine (PubChem CID 148701654) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (E)-N-prop-1-en-2-ylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-prop-1-en-2-ylbut-2-en-1-amine
PubChem CID148701654
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(E)-N-prop-1-en-2-ylbut-2-en-1-amine
SMILESC=C(C)NC/C=C/C
InChIInChI=1S/C7H13N/c1-4-5-6-8-7(2)3/h4-5,8H,2,6H2,1,3H3/b5-4+
InChIKeyNVLZKHBCXSPGFE-SNAWJCMRSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(E)-N-methylbut-2-en-1-amine
CID 157191790
N-[(E)-but-2-enyl]-3-ethylhex-1-en-2-amine;ethane
CID 178010353
(4E)-2-methylhexa-1,4-diene
CID 5367524
N-[(E)-but-2-enyl]-2,2,2-trifluoroacetamide
CID 14120807
1-N,4-N-bis(but-2-enyl)benzene-1,4-dicarboxamide
CID 54039627
N-[(E)-but-2-enyl]-2-methoxyacetamide
CID 59999383
N-[(E)-but-2-enyl]piperidine-4-carboxamide
CID 131242610
ethane;(5E)-2-methylhepta-1,5-diene
CID 143084582
N-prop-1-en-2-ylbut-2-yn-1-amine
CID 118697903
(but-2-enylamino) acetate
CID 71411992
N-[(E)-but-2-enyl]-2-ethenyliminobut-3-enamide;ethane
CID 178010298
(4Z)-7-methyl-3-methylidene-N-prop-1-en-2-ylocta-4,6-dien-1-amine
CID 143998007

Frequently Asked Questions

What is the IUPAC name of (E)-N-prop-1-en-2-ylbut-2-en-1-amine?
The IUPAC name of (E)-N-prop-1-en-2-ylbut-2-en-1-amine (CID 148701654) is (E)-N-prop-1-en-2-ylbut-2-en-1-amine.
What is the SMILES notation for (E)-N-prop-1-en-2-ylbut-2-en-1-amine?
The canonical SMILES for (E)-N-prop-1-en-2-ylbut-2-en-1-amine is C=C(C)NC/C=C/C.
What is the InChIKey of (E)-N-prop-1-en-2-ylbut-2-en-1-amine?
The InChIKey is NVLZKHBCXSPGFE-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13N/c1-4-5-6-8-7(2)3/h4-5,8H,2,6H2,1,3H3/b5-4+.
What are the key properties of (E)-N-prop-1-en-2-ylbut-2-en-1-amine?
(E)-N-prop-1-en-2-ylbut-2-en-1-amine has a molecular weight of 111.19 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-prop-1-en-2-ylbut-2-en-1-amine is sourced from PubChem (CID 148701654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).