N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide

C19H45BrNO4P — CID 174790998

IUPACN,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCN(C)C.O=P(O)(O)O
InChIInChI=1S/C19H41N.BrH.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;;1-5(2,3)4/h4-19H2,1-3H3;1H;(H3,1,2,3,4)
InChIKeyRDCRHGZZLOQTOT-UHFFFAOYSA-N
MW462.45 g/mol
LogP6.07
Rot. Bonds16

About N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide

N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide (PubChem CID 174790998) has the molecular formula C19H45BrNO4P and a molecular weight of 462.45 g/mol. Its IUPAC name is N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide.

Molecular Properties

Compound NameN,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide
PubChem CID174790998
Molecular FormulaC19H45BrNO4P
Molecular Weight462.45 g/mol
Exact Mass461.23
IUPAC NameN,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide
SMILESBr.CCCCCCCCCCCCCCCCCN(C)C.O=P(O)(O)O
InChIInChI=1S/C19H41N.BrH.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;;1-5(2,3)4/h4-19H2,1-3H3;1H;(H3,1,2,3,4)
InChIKeyRDCRHGZZLOQTOT-UHFFFAOYSA-N
XLogP6.07
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.45
LogP ≤ 56.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N-dimethyloctan-1-amine);dodecane;dihydrobromide
CID 175534819
N,N-dimethylpentacosan-1-amine;hydrobromide
CID 174802696
N,N-dimethylhexadecan-1-amine;hydrobromide
CID 71365203
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
N,N-dimethyldodecan-1-amine;hypobromous acid
CID 175692920
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
borane;N,N-dimethylhexan-1-amine
CID 134905026
N,N-dimethyldecan-1-amine;ruthenium
CID 158300226
N,N-dimethyldodecan-1-amine;phosphane
CID 157284001
azane;N,N-dimethyltetradecan-1-amine
CID 175798772

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide?
The IUPAC name of N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide (CID 174790998) is N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide.
What is the SMILES notation for N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide?
The canonical SMILES for N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide is Br.CCCCCCCCCCCCCCCCCN(C)C.O=P(O)(O)O.
What is the InChIKey of N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide?
The InChIKey is RDCRHGZZLOQTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N.BrH.H3O4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3;;1-5(2,3)4/h4-19H2,1-3H3;1H;(H3,1,2,3,4).
What are the key properties of N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide?
N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide has a molecular weight of 462.45 g/mol, XLogP of 6.07, 16 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylheptadecan-1-amine;phosphoric acid;hydrobromide is sourced from PubChem (CID 174790998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).