N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine

C25H53NO4 — CID 91084568

IUPACN,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine
SMILESCCCCCCCCCOCOCC(CN(C)C)OCOCCCCCCCCC
InChIInChI=1S/C25H53NO4/c1-5-7-9-11-13-15-17-19-27-23-29-22-25(21-26(3)4)30-24-28-20-18-16-14-12-10-8-6-2/h25H,5-24H2,1-4H3
InChIKeyBWRWDZKETUFCLA-UHFFFAOYSA-N
MW431.70 g/mol
LogP6.40
Rot. Bonds25

About N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine

N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine (PubChem CID 91084568) has the molecular formula C25H53NO4 and a molecular weight of 431.70 g/mol. Its IUPAC name is N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine
PubChem CID91084568
Molecular FormulaC25H53NO4
Molecular Weight431.70 g/mol
Exact Mass431.40
IUPAC NameN,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine
SMILESCCCCCCCCCOCOCC(CN(C)C)OCOCCCCCCCCC
InChIInChI=1S/C25H53NO4/c1-5-7-9-11-13-15-17-19-27-23-29-22-25(21-26(3)4)30-24-28-20-18-16-14-12-10-8-6-2/h25H,5-24H2,1-4H3
InChIKeyBWRWDZKETUFCLA-UHFFFAOYSA-N
XLogP6.40
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.70
LogP ≤ 56.40
H-Bond Donors ≤ 50
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'}

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Related Compounds

(2R)-N,N-dimethyl-2,3-bis[(Z)-octadec-9-enoxy]propan-1-amine
CID 97102276
N,N-dimethyl-2,3-bis[(9E,12E)-octadeca-9,12-dienoxy]propan-1-amine
CID 71611856
3-heptadeca-9,12-dienoxy-2-hexoxy-N,N-dimethylpropan-1-amine
CID 123603884
1-(1,3-dichloropropan-2-yloxymethoxy)pentane
CID 134986505
1-(dimethylamino)-3-octadecoxypropan-2-ol;hydrobromide
CID 87356589
2,3-bis(icosa-4,7,10,13-tetraenoxy)-N,N-dimethylpropan-1-amine
CID 76702087
1-[2,3-di(tridecoxy)propoxy]tridecane
CID 71331054
1-[2,3-di(octacosoxy)propoxy]octacosane
CID 139785017
8-[3-(dimethylamino)-2-[8-(3-oxononanoyloxy)octoxy]propoxy]octyl 3-oxononanoate
CID 58070161
1-(1-chloroethoxymethoxy)dodecane
CID 174404410
1-(4-methylheptoxymethoxy)octane
CID 172535111
1-(1-methoxyethoxymethoxy)undecane
CID 88750695

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine?
The IUPAC name of N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine (CID 91084568) is N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine?
The canonical SMILES for N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine is CCCCCCCCCOCOCC(CN(C)C)OCOCCCCCCCCC.
What is the InChIKey of N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine?
The InChIKey is BWRWDZKETUFCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO4/c1-5-7-9-11-13-15-17-19-27-23-29-22-25(21-26(3)4)30-24-28-20-18-16-14-12-10-8-6-2/h25H,5-24H2,1-4H3.
What are the key properties of N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine?
N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine has a molecular weight of 431.70 g/mol, XLogP of 6.40, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-bis(nonoxymethoxy)propan-1-amine is sourced from PubChem (CID 91084568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).