N-prop-2-enylprop-2-en-1-amine;hydrobromide

C6H12BrN — CID 88626163

IUPACN-prop-2-enylprop-2-en-1-amine;hydrobromide
SMILESBr.C=CCNCC=C
InChIInChI=1S/C6H11N.BrH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyVIUPOGCPVPGWAT-UHFFFAOYSA-N
MW178.07 g/mol
LogP1.53
Rot. Bonds4

About N-prop-2-enylprop-2-en-1-amine;hydrobromide

N-prop-2-enylprop-2-en-1-amine;hydrobromide (PubChem CID 88626163) has the molecular formula C6H12BrN and a molecular weight of 178.07 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-amine;hydrobromide.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-amine;hydrobromide
PubChem CID88626163
Molecular FormulaC6H12BrN
Molecular Weight178.07 g/mol
Exact Mass177.02
IUPAC NameN-prop-2-enylprop-2-en-1-amine;hydrobromide
SMILESBr.C=CCNCC=C
InChIInChI=1S/C6H11N.BrH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H
InChIKeyVIUPOGCPVPGWAT-UHFFFAOYSA-N
XLogP1.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylprop-2-en-1-amine;hydrobromide?
The IUPAC name of N-prop-2-enylprop-2-en-1-amine;hydrobromide (CID 88626163) is N-prop-2-enylprop-2-en-1-amine;hydrobromide.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-amine;hydrobromide?
The canonical SMILES for N-prop-2-enylprop-2-en-1-amine;hydrobromide is Br.C=CCNCC=C.
What is the InChIKey of N-prop-2-enylprop-2-en-1-amine;hydrobromide?
The InChIKey is VIUPOGCPVPGWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N.BrH/c1-3-5-7-6-4-2;/h3-4,7H,1-2,5-6H2;1H.
What are the key properties of N-prop-2-enylprop-2-en-1-amine;hydrobromide?
N-prop-2-enylprop-2-en-1-amine;hydrobromide has a molecular weight of 178.07 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylprop-2-en-1-amine;hydrobromide is sourced from PubChem (CID 88626163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).