[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid

C9H21N2O3P — CID 127049824

IUPAC[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid
SMILESNC(CNC1CCCCCC1)P(=O)(O)O
InChIInChI=1S/C9H21N2O3P/c10-9(15(12,13)14)7-11-8-5-3-1-2-4-6-8/h8-9,11H,1-7,10H2,(H2,12,13,14)
InChIKeyPTRBOGHDUIAFRB-UHFFFAOYSA-N
MW236.25 g/mol
LogP0.76
Rot. Bonds4

About [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid

[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid (PubChem CID 127049824) has the molecular formula C9H21N2O3P and a molecular weight of 236.25 g/mol. Its IUPAC name is [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid
PubChem CID127049824
Molecular FormulaC9H21N2O3P
Molecular Weight236.25 g/mol
Exact Mass236.13
IUPAC Name[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid
SMILESNC(CNC1CCCCCC1)P(=O)(O)O
InChIInChI=1S/C9H21N2O3P/c10-9(15(12,13)14)7-11-8-5-3-1-2-4-6-8/h8-9,11H,1-7,10H2,(H2,12,13,14)
InChIKeyPTRBOGHDUIAFRB-UHFFFAOYSA-N
XLogP0.76
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(cycloheptylamino)propanamide
CID 103237250
2-amino-3-(cyclohexylamino)propanoic acid
CID 64582225
2-amino-3-(cyclooctylamino)propanamide
CID 103233108
1-N-cyclododecylbutane-1,2-diamine
CID 83958083
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
methanol;N-(2-methylpropyl)cyclopentanamine
CID 166557930
methyl 2-chloro-3-(cycloheptylamino)propanoate
CID 103491892
methyl 2-chloro-3-(cyclohexylamino)propanoate
CID 103845864
3-(cyclododecylamino)propane-1,2-diol
CID 66175077
1-N-cycloheptyl-3-methylpentane-1,2-diamine
CID 61150855
[1-amino-2-(piperidin-4-ylmethylamino)ethyl]phosphonic acid
CID 127053163

Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid?
The IUPAC name of [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid (CID 127049824) is [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid.
What is the SMILES notation for [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid?
The canonical SMILES for [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid is NC(CNC1CCCCCC1)P(=O)(O)O.
What is the InChIKey of [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid?
The InChIKey is PTRBOGHDUIAFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O3P/c10-9(15(12,13)14)7-11-8-5-3-1-2-4-6-8/h8-9,11H,1-7,10H2,(H2,12,13,14).
What are the key properties of [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid?
[1-amino-2-(cycloheptylamino)ethyl]phosphonic acid has a molecular weight of 236.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(cycloheptylamino)ethyl]phosphonic acid is sourced from PubChem (CID 127049824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).