N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine

C14H30NO2P — CID 91364023

IUPACN-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)CP1OCC(C)(C)CO1
InChIInChI=1S/C14H30NO2P/c1-5-7-9-15(10-8-6-2)13-18-16-11-14(3,4)12-17-18/h5-13H2,1-4H3
InChIKeyZJMMUGUETGZMCA-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.23
Rot. Bonds8

About N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine

N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine (PubChem CID 91364023) has the molecular formula C14H30NO2P and a molecular weight of 275.37 g/mol. Its IUPAC name is N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine
PubChem CID91364023
Molecular FormulaC14H30NO2P
Molecular Weight275.37 g/mol
Exact Mass275.20
IUPAC NameN-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine
SMILESCCCCN(CCCC)CP1OCC(C)(C)CO1
InChIInChI=1S/C14H30NO2P/c1-5-7-9-15(10-8-6-2)13-18-16-11-14(3,4)12-17-18/h5-13H2,1-4H3
InChIKeyZJMMUGUETGZMCA-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Di-ethylamino-5,5-dimethyl-1,3,2-dioxaphosphorinane
CID 10703420
Neopentylene tetraethyl-amidophosphite
CID 129766136
1-(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl)pyrrolidine
CID 177850159
1,3,2-Dioxaphosphorinan-2-amine, N,N-diethyl-5,5-dimethyl-, 2-sulfide
CID 13608491
N-butyl-N-[(5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-yl)methyl]butan-1-amine
CID 89858460
N-butyl-N,5,5-trimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 10537710
N,N-dibutyl-5,5-dimethyl-2-oxo-1,3,2lambda5-dioxaphosphinan-2-amine
CID 10826393
N-[(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)methyl]-N-ethylethanamine
CID 29949525

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine?
The IUPAC name of N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine (CID 91364023) is N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine is CCCCN(CCCC)CP1OCC(C)(C)CO1.
What is the InChIKey of N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine?
The InChIKey is ZJMMUGUETGZMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO2P/c1-5-7-9-15(10-8-6-2)13-18-16-11-14(3,4)12-17-18/h5-13H2,1-4H3.
What are the key properties of N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine?
N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-[(5,5-dimethyl-1,3,2-dioxaphosphinan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 91364023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).