hexan-1-amine;methyl(methylaminomethyl)phosphinic acid

C9H25N2O2P — CID 139413958

IUPAChexan-1-amine;methyl(methylaminomethyl)phosphinic acid
SMILESCCCCCCN.CNCP(C)(=O)O
InChIInChI=1S/C6H15N.C3H10NO2P/c1-2-3-4-5-6-7;1-4-3-7(2,5)6/h2-7H2,1H3;4H,3H2,1-2H3,(H,5,6)
InChIKeyHFOBOMIPMBQGEY-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.59
Rot. Bonds6

About hexan-1-amine;methyl(methylaminomethyl)phosphinic acid

hexan-1-amine;methyl(methylaminomethyl)phosphinic acid (PubChem CID 139413958) has the molecular formula C9H25N2O2P and a molecular weight of 224.28 g/mol. Its IUPAC name is hexan-1-amine;methyl(methylaminomethyl)phosphinic acid.

Molecular Properties

Compound Namehexan-1-amine;methyl(methylaminomethyl)phosphinic acid
PubChem CID139413958
Molecular FormulaC9H25N2O2P
Molecular Weight224.28 g/mol
Exact Mass224.17
IUPAC Namehexan-1-amine;methyl(methylaminomethyl)phosphinic acid
SMILESCCCCCCN.CNCP(C)(=O)O
InChIInChI=1S/C6H15N.C3H10NO2P/c1-2-3-4-5-6-7;1-4-3-7(2,5)6/h2-7H2,1H3;4H,3H2,1-2H3,(H,5,6)
InChIKeyHFOBOMIPMBQGEY-UHFFFAOYSA-N
XLogP1.59
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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(hexadecan-1-amine);phosphoric acid
CID 173300602
hexan-1-amine;phosphoric acid
CID 173003303
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
fluorophosphonic acid;pentan-1-amine
CID 174849485
tris(dodecan-1-amine);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175247763
tricalcium;octadecan-1-amine;diphosphate
CID 174663264
dodecan-1-amine;hydroxylamine
CID 175960605
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497

Frequently Asked Questions

What is the IUPAC name of hexan-1-amine;methyl(methylaminomethyl)phosphinic acid?
The IUPAC name of hexan-1-amine;methyl(methylaminomethyl)phosphinic acid (CID 139413958) is hexan-1-amine;methyl(methylaminomethyl)phosphinic acid.
What is the SMILES notation for hexan-1-amine;methyl(methylaminomethyl)phosphinic acid?
The canonical SMILES for hexan-1-amine;methyl(methylaminomethyl)phosphinic acid is CCCCCCN.CNCP(C)(=O)O.
What is the InChIKey of hexan-1-amine;methyl(methylaminomethyl)phosphinic acid?
The InChIKey is HFOBOMIPMBQGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C3H10NO2P/c1-2-3-4-5-6-7;1-4-3-7(2,5)6/h2-7H2,1H3;4H,3H2,1-2H3,(H,5,6).
What are the key properties of hexan-1-amine;methyl(methylaminomethyl)phosphinic acid?
hexan-1-amine;methyl(methylaminomethyl)phosphinic acid has a molecular weight of 224.28 g/mol, XLogP of 1.59, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexan-1-amine;methyl(methylaminomethyl)phosphinic acid is sourced from PubChem (CID 139413958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).