magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride

C9H16ClMgN — CID 88769055

IUPACmagnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride
SMILESC=CCN(CC=C)CC[CH2-].[Cl-].[Mg+2]
InChIInChI=1S/C9H16N.ClH.Mg/c1-4-7-10(8-5-2)9-6-3;;/h4-5H,1-3,6-9H2;1H;/q-1;;+2/p-1
InChIKeyZHOMSCYOAUGAKF-UHFFFAOYSA-M
MW197.99 g/mol
LogP-1.49
Rot. Bonds6

About magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride

magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride (PubChem CID 88769055) has the molecular formula C9H16ClMgN and a molecular weight of 197.99 g/mol. Its IUPAC name is magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride.

Molecular Properties

Compound Namemagnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride
PubChem CID88769055
Molecular FormulaC9H16ClMgN
Molecular Weight197.99 g/mol
Exact Mass197.08
IUPAC Namemagnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride
SMILESC=CCN(CC=C)CC[CH2-].[Cl-].[Mg+2]
InChIInChI=1S/C9H16N.ClH.Mg/c1-4-7-10(8-5-2)9-6-3;;/h4-5H,1-3,6-9H2;1H;/q-1;;+2/p-1
InChIKeyZHOMSCYOAUGAKF-UHFFFAOYSA-M
XLogP-1.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.99
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride?
The IUPAC name of magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride (CID 88769055) is magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride.
What is the SMILES notation for magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride?
The canonical SMILES for magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride is C=CCN(CC=C)CC[CH2-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride?
The InChIKey is ZHOMSCYOAUGAKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H16N.ClH.Mg/c1-4-7-10(8-5-2)9-6-3;;/h4-5H,1-3,6-9H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride?
magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride has a molecular weight of 197.99 g/mol, XLogP of -1.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N,N-bis(prop-2-enyl)propan-1-amine;chloride is sourced from PubChem (CID 88769055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).