N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide

C13H28N2O3 — CID 145023773

IUPACN-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide
SMILESCNCCCOCC(C)(C)COCCCNC=O
InChIInChI=1S/C13H28N2O3/c1-13(2,10-17-8-4-6-14-3)11-18-9-5-7-15-12-16/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyWPHDAHAPZDRDTG-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.79
Rot. Bonds13

About N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide

N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide (PubChem CID 145023773) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide.

Molecular Properties

Compound NameN-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide
PubChem CID145023773
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC NameN-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide
SMILESCNCCCOCC(C)(C)COCCCNC=O
InChIInChI=1S/C13H28N2O3/c1-13(2,10-17-8-4-6-14-3)11-18-9-5-7-15-12-16/h12,14H,4-11H2,1-3H3,(H,15,16)
InChIKeyWPHDAHAPZDRDTG-UHFFFAOYSA-N
XLogP0.79
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[2-(methylamino)ethoxy]propyl]formamide
CID 171561109
N-[3-(methylamino)propyl]formamide
CID 54313593
N-[3-(4-methylpentoxy)propyl]formamide
CID 167156422
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
ethane;N-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]formamide;2-methylpropane
CID 155582612
N-(6-ethoxy-3,3,5,5-tetramethylhexyl)formamide
CID 167233671
N-[3-(2-methylbutoxy)propyl]formamide
CID 90045792
N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]formamide
CID 156795114
N-methyl-3-[3-(2-methylpropoxy)propoxy]propan-1-amine
CID 156523770
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide?
The IUPAC name of N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide (CID 145023773) is N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide.
What is the SMILES notation for N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide?
The canonical SMILES for N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide is CNCCCOCC(C)(C)COCCCNC=O.
What is the InChIKey of N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide?
The InChIKey is WPHDAHAPZDRDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-13(2,10-17-8-4-6-14-3)11-18-9-5-7-15-12-16/h12,14H,4-11H2,1-3H3,(H,15,16).
What are the key properties of N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide?
N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide has a molecular weight of 260.38 g/mol, XLogP of 0.79, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,2-dimethyl-3-[3-(methylamino)propoxy]propoxy]propyl]formamide is sourced from PubChem (CID 145023773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).