4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine

C16H37NO4P2 — CID 57034476

IUPAC4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine
SMILESCOC(CCPCCC(CN)CCPCCC(OC)OC)OC
InChIInChI=1S/C16H37NO4P2/c1-18-15(19-2)7-11-22-9-5-14(13-17)6-10-23-12-8-16(20-3)21-4/h14-16,22-23H,5-13,17H2,1-4H3
InChIKeyOAVNGIZNFVPMHQ-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.72
Rot. Bonds17

About 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine

4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine (PubChem CID 57034476) has the molecular formula C16H37NO4P2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine.

Molecular Properties

Compound Name4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine
PubChem CID57034476
Molecular FormulaC16H37NO4P2
Molecular Weight369.42 g/mol
Exact Mass369.22
IUPAC Name4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine
SMILESCOC(CCPCCC(CN)CCPCCC(OC)OC)OC
InChIInChI=1S/C16H37NO4P2/c1-18-15(19-2)7-11-22-9-5-14(13-17)6-10-23-12-8-16(20-3)21-4/h14-16,22-23H,5-13,17H2,1-4H3
InChIKeyOAVNGIZNFVPMHQ-UHFFFAOYSA-N
XLogP2.72
TPSA62.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]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

4-(3,3-Dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-2-methoxybutan-1-amine
CID 56974933
5-(3,3-Dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]pentan-1-amine
CID 57063234
4-(2,2-Diethoxyethylphosphanyl)-2-[2-(2,2-diethoxyethylphosphanyl)ethyl]butan-1-amine
CID 57278243
5-(2,2-Diethoxyethylphosphanyl)-3-[2-(2,2-diethoxyethylphosphanyl)ethyl]pentan-1-amine
CID 57290809
5-[2,2-Di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-propoxypentan-1-amine
CID 87357326
5-(2,2-Dipropoxyethylphosphanyl)-3-[2-(2,2-dipropoxyethylphosphanyl)ethyl]-3-ethoxypentan-1-amine
CID 87357372
5-[2,2-Di(propan-2-yloxy)ethylphosphanyl]-3-[2-[2,2-di(propan-2-yloxy)ethylphosphanyl]ethyl]-3-ethoxypentan-1-amine
CID 87357387
5-(2,2-Dimethoxyethylphosphanyl)-3-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-3-propan-2-yloxypentan-1-amine
CID 87357444
4-(2,2-Dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-ethoxybutan-1-amine
CID 87357459
5-(3,3-Dimethoxypropylphosphanyl)-3-[2-(3,3-dimethoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine
CID 87357487
5-(3,3-Dipropoxypropylphosphanyl)-3-[2-(3,3-dipropoxypropylphosphanyl)ethyl]-3-propoxypentan-1-amine
CID 87357497
4-(2,2-Dimethoxyethylphosphanyl)-2-[2-(2,2-dimethoxyethylphosphanyl)ethyl]-2-methoxybutan-1-amine
CID 87357512

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine?
The IUPAC name of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine (CID 57034476) is 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine.
What is the SMILES notation for 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine?
The canonical SMILES for 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine is COC(CCPCCC(CN)CCPCCC(OC)OC)OC.
What is the InChIKey of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine?
The InChIKey is OAVNGIZNFVPMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H37NO4P2/c1-18-15(19-2)7-11-22-9-5-14(13-17)6-10-23-12-8-16(20-3)21-4/h14-16,22-23H,5-13,17H2,1-4H3.
What are the key properties of 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine?
4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine has a molecular weight of 369.42 g/mol, XLogP of 2.72, 17 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethoxypropylphosphanyl)-2-[2-(3,3-dimethoxypropylphosphanyl)ethyl]butan-1-amine is sourced from PubChem (CID 57034476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).