(3-amino-2-cyclohexylpropyl)phosphonous acid

C9H20NO2P — CID 10058776

IUPAC(3-amino-2-cyclohexylpropyl)phosphonous acid
SMILESNCC(CP(O)O)C1CCCCC1
InChIInChI=1S/C9H20NO2P/c10-6-9(7-13(11)12)8-4-2-1-3-5-8/h8-9,11-12H,1-7,10H2
InChIKeyDKDBNKQPLHNBFJ-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.44
Rot. Bonds4

About (3-amino-2-cyclohexylpropyl)phosphonous acid

(3-amino-2-cyclohexylpropyl)phosphonous acid (PubChem CID 10058776) has the molecular formula C9H20NO2P and a molecular weight of 205.24 g/mol. Its IUPAC name is (3-amino-2-cyclohexylpropyl)phosphonous acid.

Molecular Properties

Compound Name(3-amino-2-cyclohexylpropyl)phosphonous acid
PubChem CID10058776
Molecular FormulaC9H20NO2P
Molecular Weight205.24 g/mol
Exact Mass205.12
IUPAC Name(3-amino-2-cyclohexylpropyl)phosphonous acid
SMILESNCC(CP(O)O)C1CCCCC1
InChIInChI=1S/C9H20NO2P/c10-6-9(7-13(11)12)8-4-2-1-3-5-8/h8-9,11-12H,1-7,10H2
InChIKeyDKDBNKQPLHNBFJ-UHFFFAOYSA-N
XLogP1.44
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
4-amino-3-cyclopentylbutanoic acid
CID 10130168
2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine
CID 165466127
methyl 4-amino-3-cyclohexylbutanoate
CID 66098715
2-cyclohexylhex-5-en-1-amine
CID 66694648
5-amino-4-cyclohexyl-N-propan-2-ylpentanamide
CID 112515743
2-cyclobutyl-3-piperidin-1-ylpropan-1-amine
CID 117245614
2,3-diamino-1-cyclohexylpropan-1-ol;dihydrochloride
CID 24837070
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
2-cyclopentyloctan-1-amine
CID 112569591
2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine
CID 117245609
(1S)-1-cyclopentylethane-1,2-diamine
CID 55292792

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-cyclohexylpropyl)phosphonous acid?
The IUPAC name of (3-amino-2-cyclohexylpropyl)phosphonous acid (CID 10058776) is (3-amino-2-cyclohexylpropyl)phosphonous acid.
What is the SMILES notation for (3-amino-2-cyclohexylpropyl)phosphonous acid?
The canonical SMILES for (3-amino-2-cyclohexylpropyl)phosphonous acid is NCC(CP(O)O)C1CCCCC1.
What is the InChIKey of (3-amino-2-cyclohexylpropyl)phosphonous acid?
The InChIKey is DKDBNKQPLHNBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20NO2P/c10-6-9(7-13(11)12)8-4-2-1-3-5-8/h8-9,11-12H,1-7,10H2.
What are the key properties of (3-amino-2-cyclohexylpropyl)phosphonous acid?
(3-amino-2-cyclohexylpropyl)phosphonous acid has a molecular weight of 205.24 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-cyclohexylpropyl)phosphonous acid is sourced from PubChem (CID 10058776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).