N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine

C19H43NO5P2 — CID 87358090

IUPACN,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine
SMILESCCOC(CC)N(C(C)PC(CC)(OC)OC)C(C)PC(CC)(OC)OC
InChIInChI=1S/C19H43NO5P2/c1-11-17(25-14-4)20(15(5)26-18(12-2,21-7)22-8)16(6)27-19(13-3,23-9)24-10/h15-17,26-27H,11-14H2,1-10H3
InChIKeyJUKDATSEMWIOMM-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.82
Rot. Bonds16

About N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine

N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine (PubChem CID 87358090) has the molecular formula C19H43NO5P2 and a molecular weight of 427.50 g/mol. Its IUPAC name is N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine.

Molecular Properties

Compound NameN,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine
PubChem CID87358090
Molecular FormulaC19H43NO5P2
Molecular Weight427.50 g/mol
Exact Mass427.26
IUPAC NameN,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine
SMILESCCOC(CC)N(C(C)PC(CC)(OC)OC)C(C)PC(CC)(OC)OC
InChIInChI=1S/C19H43NO5P2/c1-11-17(25-14-4)20(15(5)26-18(12-2,21-7)22-8)16(6)27-19(13-3,23-9)24-10/h15-17,26-27H,11-14H2,1-10H3
InChIKeyJUKDATSEMWIOMM-UHFFFAOYSA-N
XLogP4.82
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(1,1-dimethoxypropylphosphanyl)-3-(ethoxymethyl)pentan-3-amine
CID 87513100
[1-ethoxypropyl(hydroxymethyl)amino]methanol
CID 18004311
N,N-bis[2-(1,1-dipropoxypropylphosphanyl)ethyl]-1-propoxypropan-1-amine
CID 87357498
3-(chloromethyl)-2-ethoxy-4-iodo-3-methoxypentane
CID 129235282
N,N-di(propan-2-yl)-1-trimethoxysilylpropan-1-amine
CID 87407225
4-ethoxyhexan-1-amine
CID 21432824
[2-[1-ethoxypropyl-(2-methyl-1-phosphonopropan-2-yl)amino]-2-methylpropyl]phosphonic acid
CID 87357786
1,1-diethoxyethane
CID 7765
3-ethyl-3-methoxy-2-methylpentane
CID 23384914
1-ethoxy-1-[2-(2-methoxyethoxy)ethoxy]ethane
CID 87172794
4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine
CID 64539437
2-ethoxy-3-(2-ethoxyethoxy)butane
CID 129061401

Frequently Asked Questions

What is the IUPAC name of N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine?
The IUPAC name of N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine (CID 87358090) is N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine.
What is the SMILES notation for N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine?
The canonical SMILES for N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine is CCOC(CC)N(C(C)PC(CC)(OC)OC)C(C)PC(CC)(OC)OC.
What is the InChIKey of N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine?
The InChIKey is JUKDATSEMWIOMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H43NO5P2/c1-11-17(25-14-4)20(15(5)26-18(12-2,21-7)22-8)16(6)27-19(13-3,23-9)24-10/h15-17,26-27H,11-14H2,1-10H3.
What are the key properties of N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine?
N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine has a molecular weight of 427.50 g/mol, XLogP of 4.82, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[1-(1,1-dimethoxypropylphosphanyl)ethyl]-1-ethoxypropan-1-amine is sourced from PubChem (CID 87358090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).