phosphoric acid;N-prop-2-enyldodecan-1-amine

C15H34NO4P — CID 174431091

IUPACphosphoric acid;N-prop-2-enyldodecan-1-amine
SMILESC=CCNCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C15H31N.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-5(2,3)4/h4,16H,2-3,5-15H2,1H3;(H3,1,2,3,4)
InChIKeyZPFZISBRDXWSAV-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.75
Rot. Bonds13

About phosphoric acid;N-prop-2-enyldodecan-1-amine

phosphoric acid;N-prop-2-enyldodecan-1-amine (PubChem CID 174431091) has the molecular formula C15H34NO4P and a molecular weight of 323.41 g/mol. Its IUPAC name is phosphoric acid;N-prop-2-enyldodecan-1-amine.

Molecular Properties

Compound Namephosphoric acid;N-prop-2-enyldodecan-1-amine
PubChem CID174431091
Molecular FormulaC15H34NO4P
Molecular Weight323.41 g/mol
Exact Mass323.22
IUPAC Namephosphoric acid;N-prop-2-enyldodecan-1-amine
SMILESC=CCNCCCCCCCCCCCC.O=P(O)(O)O
InChIInChI=1S/C15H31N.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-5(2,3)4/h4,16H,2-3,5-15H2,1H3;(H3,1,2,3,4)
InChIKeyZPFZISBRDXWSAV-UHFFFAOYSA-N
XLogP3.75
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyltridecan-1-amine
CID 22467882
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
N,N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
CID 87466801
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
hexadec-1-ene;phosphoric acid
CID 172734744
2-(decylamino)acetaldehyde
CID 87184304
dodecane;phosphoric acid
CID 88801558
tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
N-pent-4-enyloctan-1-amine
CID 79006791
1-octyl-2-prop-2-enylhydrazine
CID 175337885
tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride
CID 173294003
N',N'-diethyl-N-octadec-9-enylethane-1,2-diamine;phosphoric acid
CID 173455430

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;N-prop-2-enyldodecan-1-amine?
The IUPAC name of phosphoric acid;N-prop-2-enyldodecan-1-amine (CID 174431091) is phosphoric acid;N-prop-2-enyldodecan-1-amine.
What is the SMILES notation for phosphoric acid;N-prop-2-enyldodecan-1-amine?
The canonical SMILES for phosphoric acid;N-prop-2-enyldodecan-1-amine is C=CCNCCCCCCCCCCCC.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;N-prop-2-enyldodecan-1-amine?
The InChIKey is ZPFZISBRDXWSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N.H3O4P/c1-3-5-6-7-8-9-10-11-12-13-15-16-14-4-2;1-5(2,3)4/h4,16H,2-3,5-15H2,1H3;(H3,1,2,3,4).
What are the key properties of phosphoric acid;N-prop-2-enyldodecan-1-amine?
phosphoric acid;N-prop-2-enyldodecan-1-amine has a molecular weight of 323.41 g/mol, XLogP of 3.75, 13 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;N-prop-2-enyldodecan-1-amine is sourced from PubChem (CID 174431091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).