N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium

C18H31N2+ — CID 174867425

IUPACN-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
SMILESC=CCNCC=C.C=CC[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C12H20N.C6H11N/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-3-5-7-6-4-2/h5-8H,1-4,9-12H2;3-4,7H,1-2,5-6H2/q+1;
InChIKeyVBRALOHDVXUZMB-UHFFFAOYSA-N
MW275.46 g/mol
LogP3.50
Rot. Bonds12

About N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium

N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium (PubChem CID 174867425) has the molecular formula C18H31N2+ and a molecular weight of 275.46 g/mol. Its IUPAC name is N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium.

Molecular Properties

Compound NameN-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
PubChem CID174867425
Molecular FormulaC18H31N2+
Molecular Weight275.46 g/mol
Exact Mass275.25
IUPAC NameN-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium
SMILESC=CCNCC=C.C=CC[N+](CC=C)(CC=C)CC=C
InChIInChI=1S/C12H20N.C6H11N/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-3-5-7-6-4-2/h5-8H,1-4,9-12H2;3-4,7H,1-2,5-6H2/q+1;
InChIKeyVBRALOHDVXUZMB-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 53.50
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

sulfane;tetrakis(prop-2-enyl)azanium
CID 174809251
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
tetrakis(prop-2-enyl)azanium chloride
CID 11264347
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
hydron;tetrakis(prop-2-enyl)azanium
CID 87913836
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
indium(3+);tetrakis(prop-2-enyl)azanium;tetrachloride
CID 174555919
hydron;tetrakis(prop-2-enyl)azanium;hydrate
CID 174431949
germanium(4+);bis(oxygen(2-));tetrakis(prop-2-enyl)azanium;hydroxide
CID 173450774
but-1-ene;tetrakis(prop-2-enyl)azanium
CID 174931498
oxirane;N-prop-2-enylprop-2-en-1-amine
CID 174833487
ethane-1,2-diol;tetrakis(prop-2-enyl)azanium;chloride
CID 175142733

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium?
The IUPAC name of N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium (CID 174867425) is N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium.
What is the SMILES notation for N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium?
The canonical SMILES for N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium is C=CCNCC=C.C=CC[N+](CC=C)(CC=C)CC=C.
What is the InChIKey of N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium?
The InChIKey is VBRALOHDVXUZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N.C6H11N/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-3-5-7-6-4-2/h5-8H,1-4,9-12H2;3-4,7H,1-2,5-6H2/q+1;.
What are the key properties of N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium?
N-prop-2-enylprop-2-en-1-amine;tetrakis(prop-2-enyl)azanium has a molecular weight of 275.46 g/mol, XLogP of 3.50, 12 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;tetrakis(prop-2-enyl)azanium is sourced from PubChem (CID 174867425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).