(4-amino-1-cyclohexylbutyl)phosphonic acid

C10H22NO3P — CID 150102027

IUPAC(4-amino-1-cyclohexylbutyl)phosphonic acid
SMILESNCCCC(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C10H22NO3P/c11-8-4-7-10(15(12,13)14)9-5-2-1-3-6-9/h9-10H,1-8,11H2,(H2,12,13,14)
InChIKeyDVLKJVSRIBMJAH-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.85
Rot. Bonds5

About (4-amino-1-cyclohexylbutyl)phosphonic acid

(4-amino-1-cyclohexylbutyl)phosphonic acid (PubChem CID 150102027) has the molecular formula C10H22NO3P and a molecular weight of 235.26 g/mol. Its IUPAC name is (4-amino-1-cyclohexylbutyl)phosphonic acid.

Molecular Properties

Compound Name(4-amino-1-cyclohexylbutyl)phosphonic acid
PubChem CID150102027
Molecular FormulaC10H22NO3P
Molecular Weight235.26 g/mol
Exact Mass235.13
IUPAC Name(4-amino-1-cyclohexylbutyl)phosphonic acid
SMILESNCCCC(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C10H22NO3P/c11-8-4-7-10(15(12,13)14)9-5-2-1-3-6-9/h9-10H,1-8,11H2,(H2,12,13,14)
InChIKeyDVLKJVSRIBMJAH-UHFFFAOYSA-N
XLogP1.85
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(1S)-1-cycloheptylethyl]-2-methylpentanamide
CID 104685410
1-cyclopentyl-N,N-dimethylbutane-1,4-diamine
CID 116905203
5-amino-N-cycloheptyl-2-ethylpentanamide
CID 112515741
6,6-di(cyclododecyl)hexan-1-amine
CID 139722642
5-amino-N-cyclopentyl-2-ethylpentanamide
CID 112515263
2-amino-6-cyclohexyl-7-phosphonoheptanoic acid
CID 67928459
(6-amino-2-chlorohexan-3-yl)phosphonic acid
CID 87150922
(5-amino-1-hydroxy-2-methyl-1-phosphonopentyl)phosphonic acid
CID 87843654
8-amino-4-cycloheptyl-1-hydroxyoctan-3-one
CID 170197479
8-amino-3-cyclohexyl-4-ethyloctanoic acid
CID 21327818
6-amino-N-(1-cyclohexylethyl)hexanamide
CID 55069317
5-amino-N-(cyclohexylmethyl)-2-methylpentanamide
CID 104683632

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclohexylbutyl)phosphonic acid?
The IUPAC name of (4-amino-1-cyclohexylbutyl)phosphonic acid (CID 150102027) is (4-amino-1-cyclohexylbutyl)phosphonic acid.
What is the SMILES notation for (4-amino-1-cyclohexylbutyl)phosphonic acid?
The canonical SMILES for (4-amino-1-cyclohexylbutyl)phosphonic acid is NCCCC(C1CCCCC1)P(=O)(O)O.
What is the InChIKey of (4-amino-1-cyclohexylbutyl)phosphonic acid?
The InChIKey is DVLKJVSRIBMJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22NO3P/c11-8-4-7-10(15(12,13)14)9-5-2-1-3-6-9/h9-10H,1-8,11H2,(H2,12,13,14).
What are the key properties of (4-amino-1-cyclohexylbutyl)phosphonic acid?
(4-amino-1-cyclohexylbutyl)phosphonic acid has a molecular weight of 235.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclohexylbutyl)phosphonic acid is sourced from PubChem (CID 150102027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).