dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride

C14H27ClN2 — CID 87858593

IUPACdimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride
SMILESC=CCNCC=C.C=CC[N+](C)(C)CC=C.[Cl-]
InChIInChI=1S/C8H16N.C6H11N.ClH/c1-5-7-9(3,4)8-6-2;1-3-5-7-6-4-2;/h5-6H,1-2,7-8H2,3-4H3;3-4,7H,1-2,5-6H2;1H/q+1;;/p-1
InChIKeyIZLYGSMKJDTDDW-UHFFFAOYSA-M
MW258.84 g/mol
LogP-0.61
Rot. Bonds8

About dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride

dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride (PubChem CID 87858593) has the molecular formula C14H27ClN2 and a molecular weight of 258.84 g/mol. Its IUPAC name is dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride.

Molecular Properties

Compound Namedimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride
PubChem CID87858593
Molecular FormulaC14H27ClN2
Molecular Weight258.84 g/mol
Exact Mass258.19
IUPAC Namedimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride
SMILESC=CCNCC=C.C=CC[N+](C)(C)CC=C.[Cl-]
InChIInChI=1S/C8H16N.C6H11N.ClH/c1-5-7-9(3,4)8-6-2;1-3-5-7-6-4-2;/h5-6H,1-2,7-8H2,3-4H3;3-4,7H,1-2,5-6H2;1H/q+1;;/p-1
InChIKeyIZLYGSMKJDTDDW-UHFFFAOYSA-M
XLogP-0.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.84
LogP ≤ 5-0.61
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'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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CID 5369081
Allylethylamine
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(Z)-N-ethyl-N'-[(Z)-4-[[(Z)-4-(ethylamino)but-2-enyl]amino]but-2-enyl]but-2-ene-1,4-diamine;hydrochloride
CID 45263477
N,N'-Diisopropyl-2-butene-1,4-diamine
CID 6450909
N,N'-Di-2-propenyl-1,3-propanediamine
CID 10630734
Ethyl(prop-2-en-1-yl)amine hydrochloride
CID 20193693
N,N'-Di-2-propenyl-1,3-propanediamine dihydrochloride
CID 87465680
N-methyl-N'-prop-2-enylbutane-1,4-diamine
CID 146444
N-methyl-N-(2-propenyl)-1,4-butanediamine
CID 146443
prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 86717695
N,N-dimethylprop-2-en-1-amine;prop-2-en-1-amine
CID 87361427

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride?
The IUPAC name of dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride (CID 87858593) is dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride.
What is the SMILES notation for dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride?
The canonical SMILES for dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride is C=CCNCC=C.C=CC[N+](C)(C)CC=C.[Cl-].
What is the InChIKey of dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride?
The InChIKey is IZLYGSMKJDTDDW-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16N.C6H11N.ClH/c1-5-7-9(3,4)8-6-2;1-3-5-7-6-4-2;/h5-6H,1-2,7-8H2,3-4H3;3-4,7H,1-2,5-6H2;1H/q+1;;/p-1.
What are the key properties of dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride?
dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride has a molecular weight of 258.84 g/mol, XLogP of -0.61, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(prop-2-enyl)azanium;N-prop-2-enylprop-2-en-1-amine;chloride is sourced from PubChem (CID 87858593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).