N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

C15H31NO3 — CID 102977010

IUPACN-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC(CCNC1CC(OCC)C1(C)C)OCC
InChIInChI=1S/C15H31NO3/c1-6-17-13-11-12(15(13,4)5)16-10-9-14(18-7-2)19-8-3/h12-14,16H,6-11H2,1-5H3
InChIKeyDZFWWEUFQUYQGS-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.57
Rot. Bonds10

About N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine

N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 102977010) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID102977010
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC NameN-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
SMILESCCOC(CCNC1CC(OCC)C1(C)C)OCC
InChIInChI=1S/C15H31NO3/c1-6-17-13-11-12(15(13,4)5)16-10-9-14(18-7-2)19-8-3/h12-14,16H,6-11H2,1-5H3
InChIKeyDZFWWEUFQUYQGS-UHFFFAOYSA-N
XLogP2.57
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
3-ethoxy-2,2-dimethyl-N-pent-4-enylcyclobutan-1-amine
CID 107303038
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
CID 64851694
3-ethoxy-2,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]cyclobutan-1-amine
CID 64850556
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
3-ethoxy-N-hept-6-enyl-2,2-dimethylcyclobutan-1-amine
CID 114119160
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
3-ethoxy-2,2-dimethyl-N-(2-prop-2-enylsulfanylethyl)cyclobutan-1-amine
CID 115906268
3-ethoxy-2,2-dimethyl-N-(2-prop-2-ynylsulfanylethyl)cyclobutan-1-amine
CID 115906363

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine (CID 102977010) is N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is CCOC(CCNC1CC(OCC)C1(C)C)OCC.
What is the InChIKey of N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is DZFWWEUFQUYQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-6-17-13-11-12(15(13,4)5)16-10-9-14(18-7-2)19-8-3/h12-14,16H,6-11H2,1-5H3.
What are the key properties of N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine?
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 2.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 102977010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).