N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride

C8H19ClN2 — CID 87364859

IUPACN,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
SMILESC=CCN.C=CCN(C)C.Cl
InChIInChI=1S/C5H11N.C3H7N.ClH/c1-4-5-6(2)3;1-2-3-4;/h4H,1,5H2,2-3H3;2H,1,3-4H2;1H
InChIKeyZUXWJVUYSLWQJQ-UHFFFAOYSA-N
MW178.71 g/mol
LogP1.29
Rot. Bonds3

About N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride

N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride (PubChem CID 87364859) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
PubChem CID87364859
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC NameN,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride
SMILESC=CCN.C=CCN(C)C.Cl
InChIInChI=1S/C5H11N.C3H7N.ClH/c1-4-5-6(2)3;1-2-3-4;/h4H,1,5H2,2-3H3;2H,1,3-4H2;1H
InChIKeyZUXWJVUYSLWQJQ-UHFFFAOYSA-N
XLogP1.29
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride?
The IUPAC name of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride (CID 87364859) is N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride?
The canonical SMILES for N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride is C=CCN.C=CCN(C)C.Cl.
What is the InChIKey of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride?
The InChIKey is ZUXWJVUYSLWQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H7N.ClH/c1-4-5-6(2)3;1-2-3-4;/h4H,1,5H2,2-3H3;2H,1,3-4H2;1H.
What are the key properties of N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride?
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride has a molecular weight of 178.71 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 87364859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).