N-methylpentan-1-amine;phosphoric acid

C6H18NO4P — CID 175529105

IUPACN-methylpentan-1-amine;phosphoric acid
SMILESCCCCCNC.O=P(O)(O)O
InChIInChI=1S/C6H15N.H3O4P/c1-3-4-5-6-7-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H3,1,2,3,4)
InChIKeyVCLCVOCJEOJWAW-UHFFFAOYSA-N
MW199.19 g/mol
LogP0.47
Rot. Bonds4

About N-methylpentan-1-amine;phosphoric acid

N-methylpentan-1-amine;phosphoric acid (PubChem CID 175529105) has the molecular formula C6H18NO4P and a molecular weight of 199.19 g/mol. Its IUPAC name is N-methylpentan-1-amine;phosphoric acid.

Molecular Properties

Compound NameN-methylpentan-1-amine;phosphoric acid
PubChem CID175529105
Molecular FormulaC6H18NO4P
Molecular Weight199.19 g/mol
Exact Mass199.10
IUPAC NameN-methylpentan-1-amine;phosphoric acid
SMILESCCCCCNC.O=P(O)(O)O
InChIInChI=1S/C6H15N.H3O4P/c1-3-4-5-6-7-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H3,1,2,3,4)
InChIKeyVCLCVOCJEOJWAW-UHFFFAOYSA-N
XLogP0.47
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.19
LogP ≤ 50.47
H-Bond Donors ≤ 54
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

tris(N-methyldodecan-1-amine);phosphoric acid
CID 175134049
tris(N-methyloctan-1-amine);phosphoric acid;propan-2-ol
CID 175090392
N-methyltriacontan-1-amine
CID 19840895
N-octylheptadecan-1-amine;phosphoric acid
CID 174994619
hydroxylamine;N-methyloctan-1-amine
CID 144676839
dihydroxy(oxo)phosphanium;N-methyloctadecan-1-amine
CID 19904990
dodecane;phosphoric acid
CID 88801558
dodecylphosphonic acid;phosphoric acid
CID 88779225
N-methyloctan-1-amine;propan-1-ol
CID 88540071
N-methyltridecan-1-amine;molecular hydrogen
CID 153363446
N-methylbutan-1-amine
CID 8068
N-methylheptan-1-amine;molecular hydrogen;propane
CID 144955567

Frequently Asked Questions

What is the IUPAC name of N-methylpentan-1-amine;phosphoric acid?
The IUPAC name of N-methylpentan-1-amine;phosphoric acid (CID 175529105) is N-methylpentan-1-amine;phosphoric acid.
What is the SMILES notation for N-methylpentan-1-amine;phosphoric acid?
The canonical SMILES for N-methylpentan-1-amine;phosphoric acid is CCCCCNC.O=P(O)(O)O.
What is the InChIKey of N-methylpentan-1-amine;phosphoric acid?
The InChIKey is VCLCVOCJEOJWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.H3O4P/c1-3-4-5-6-7-2;1-5(2,3)4/h7H,3-6H2,1-2H3;(H3,1,2,3,4).
What are the key properties of N-methylpentan-1-amine;phosphoric acid?
N-methylpentan-1-amine;phosphoric acid has a molecular weight of 199.19 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpentan-1-amine;phosphoric acid is sourced from PubChem (CID 175529105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).