N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride

C7H14ClN — CID 71354557

IUPACN-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride
SMILESC=CCN(C)CC=C.Cl
InChIInChI=1S/C7H13N.ClH/c1-4-6-8(3)7-5-2;/h4-5H,1-2,6-7H2,3H3;1H
InChIKeyVNLHWLYAOHNSCH-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride

N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride (PubChem CID 71354557) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride
PubChem CID71354557
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC NameN-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride
SMILESC=CCN(C)CC=C.Cl
InChIInChI=1S/C7H13N.ClH/c1-4-6-8(3)7-5-2;/h4-5H,1-2,6-7H2,3H3;1H
InChIKeyVNLHWLYAOHNSCH-UHFFFAOYSA-N
XLogP1.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The IUPAC name of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride (CID 71354557) is N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The canonical SMILES for N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride is C=CCN(C)CC=C.Cl.
What is the InChIKey of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride?
The InChIKey is VNLHWLYAOHNSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-4-6-8(3)7-5-2;/h4-5H,1-2,6-7H2,3H3;1H.
What are the key properties of N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride?
N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylprop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 71354557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).