1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine

C19H43NO6P2 — CID 14512426

IUPAC1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine
SMILESCCCCOP(=O)(OCCCC)C(N(C)C)P(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H43NO6P2/c1-7-11-15-23-27(21,24-16-12-8-2)19(20(5)6)28(22,25-17-13-9-3)26-18-14-10-4/h19H,7-18H2,1-6H3
InChIKeyNNUYAYUGTPYHRP-UHFFFAOYSA-N
MW443.50 g/mol
LogP6.48
Rot. Bonds19

About 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine

1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine (PubChem CID 14512426) has the molecular formula C19H43NO6P2 and a molecular weight of 443.50 g/mol. Its IUPAC name is 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine
PubChem CID14512426
Molecular FormulaC19H43NO6P2
Molecular Weight443.50 g/mol
Exact Mass443.26
IUPAC Name1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine
SMILESCCCCOP(=O)(OCCCC)C(N(C)C)P(=O)(OCCCC)OCCCC
InChIInChI=1S/C19H43NO6P2/c1-7-11-15-23-27(21,24-16-12-8-2)19(20(5)6)28(22,25-17-13-9-3)26-18-14-10-4/h19H,7-18H2,1-6H3
InChIKeyNNUYAYUGTPYHRP-UHFFFAOYSA-N
XLogP6.48
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

1-[butoxy(propan-2-yl)phosphoryl]oxybutane
CID 580343
dibutoxyphosphorylmethanediol
CID 87672065
tributyl phosphate;trihydrochloride
CID 173157313
terbium;tributyl phosphate
CID 90187591
europium;tributyl phosphate
CID 90187569
1-[butoxy((114C)methyl)(14C)phosphoryl]oxybutane
CID 12777600
dibutyl hydrogen phosphate
CID 158586372
1,4-bis(dibutoxyphosphorylmethyl)benzene
CID 101243552
dibutyl phosphate;tetramethylphosphanium
CID 87474476
1-[butoxy-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)phosphoryl]oxybutane
CID 10252324
azane;butyl dihydrogen phosphate
CID 173333807
magnesium dibutyl phosphate
CID 21400580

Frequently Asked Questions

What is the IUPAC name of 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine?
The IUPAC name of 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine (CID 14512426) is 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine?
The canonical SMILES for 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine is CCCCOP(=O)(OCCCC)C(N(C)C)P(=O)(OCCCC)OCCCC.
What is the InChIKey of 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine?
The InChIKey is NNUYAYUGTPYHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO6P2/c1-7-11-15-23-27(21,24-16-12-8-2)19(20(5)6)28(22,25-17-13-9-3)26-18-14-10-4/h19H,7-18H2,1-6H3.
What are the key properties of 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine?
1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine has a molecular weight of 443.50 g/mol, XLogP of 6.48, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(dibutoxyphosphoryl)-N,N-dimethylmethanamine is sourced from PubChem (CID 14512426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).