4-dicyclohexyloxyphosphorylbutan-1-amine

C16H32NO3P — CID 175191907

IUPAC4-dicyclohexyloxyphosphorylbutan-1-amine
SMILESNCCCCP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H32NO3P/c17-13-7-8-14-21(18,19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h15-16H,1-14,17H2
InChIKeyVDEURCIMHMXVGI-UHFFFAOYSA-N
MW317.41 g/mol
LogP4.62
Rot. Bonds8

About 4-dicyclohexyloxyphosphorylbutan-1-amine

4-dicyclohexyloxyphosphorylbutan-1-amine (PubChem CID 175191907) has the molecular formula C16H32NO3P and a molecular weight of 317.41 g/mol. Its IUPAC name is 4-dicyclohexyloxyphosphorylbutan-1-amine.

Molecular Properties

Compound Name4-dicyclohexyloxyphosphorylbutan-1-amine
PubChem CID175191907
Molecular FormulaC16H32NO3P
Molecular Weight317.41 g/mol
Exact Mass317.21
IUPAC Name4-dicyclohexyloxyphosphorylbutan-1-amine
SMILESNCCCCP(=O)(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C16H32NO3P/c17-13-7-8-14-21(18,19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h15-16H,1-14,17H2
InChIKeyVDEURCIMHMXVGI-UHFFFAOYSA-N
XLogP4.62
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-dicyclopropyloxyphosphorylbutan-1-ol
CID 87672740
[butoxy(butyl)phosphoryl]oxycyclohexane
CID 87506579
tricyclooctyl phosphate
CID 22995283
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
5-aminopentyl 2-cyclohexyloxyacetate
CID 158302508
cyclohexyl 2-[5-bis(2-cyclohexyloxy-2-oxoethoxy)phosphorylpentyl-(2-cyclohexyloxy-2-oxoethoxy)phosphoryl]oxyacetate
CID 140745409
cyclooctyl 7-aminoheptanoate
CID 21259475
[ethyl(methoxy)phosphoryl]oxycyclopentane
CID 87128122
[prop-2-enoxy(prop-2-enyl)phosphoryl]oxycyclohexane
CID 56996806
[methoxy(2,2,2-trifluoroethyl)phosphoryl]oxycyclohexane
CID 87128036
6-cyclohexylhexan-1-amine
CID 19875455
bis(dicyclohexyl phosphate);nickel(2+)
CID 22768614

Frequently Asked Questions

What is the IUPAC name of 4-dicyclohexyloxyphosphorylbutan-1-amine?
The IUPAC name of 4-dicyclohexyloxyphosphorylbutan-1-amine (CID 175191907) is 4-dicyclohexyloxyphosphorylbutan-1-amine.
What is the SMILES notation for 4-dicyclohexyloxyphosphorylbutan-1-amine?
The canonical SMILES for 4-dicyclohexyloxyphosphorylbutan-1-amine is NCCCCP(=O)(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of 4-dicyclohexyloxyphosphorylbutan-1-amine?
The InChIKey is VDEURCIMHMXVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32NO3P/c17-13-7-8-14-21(18,19-15-9-3-1-4-10-15)20-16-11-5-2-6-12-16/h15-16H,1-14,17H2.
What are the key properties of 4-dicyclohexyloxyphosphorylbutan-1-amine?
4-dicyclohexyloxyphosphorylbutan-1-amine has a molecular weight of 317.41 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dicyclohexyloxyphosphorylbutan-1-amine is sourced from PubChem (CID 175191907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).