N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine

C12H26N2O2 — CID 106115161

IUPACN'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine
SMILESCCOC1CC(NCC(CN)OC)C1(C)C
InChIInChI=1S/C12H26N2O2/c1-5-16-11-6-10(12(11,2)3)14-8-9(7-13)15-4/h9-11,14H,5-8,13H2,1-4H3
InChIKeyYIXCBOLZEHZMFX-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.75
Rot. Bonds7

About N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine

N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine (PubChem CID 106115161) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine
PubChem CID106115161
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC NameN'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine
SMILESCCOC1CC(NCC(CN)OC)C1(C)C
InChIInChI=1S/C12H26N2O2/c1-5-16-11-6-10(12(11,2)3)14-8-9(7-13)15-4/h9-11,14H,5-8,13H2,1-4H3
InChIKeyYIXCBOLZEHZMFX-UHFFFAOYSA-N
XLogP0.75
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309
3-ethoxy-2,2-dimethyl-N-(2-propan-2-yloxyethyl)cyclobutan-1-amine
CID 104584738
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
4-amino-N-(3-butoxy-2,2-dimethylcyclobutyl)-3-methoxybutanamide;hydrochloride
CID 120594260
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]butanoic acid
CID 64852310
(2S)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 103797512
(2R)-2-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)butanamide
CID 104878201
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
1-(3-ethoxy-2,2-dimethylcyclobutyl)-2-ethylguanidine
CID 103734487

Frequently Asked Questions

What is the IUPAC name of N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine?
The IUPAC name of N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine (CID 106115161) is N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine.
What is the SMILES notation for N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine?
The canonical SMILES for N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine is CCOC1CC(NCC(CN)OC)C1(C)C.
What is the InChIKey of N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine?
The InChIKey is YIXCBOLZEHZMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-5-16-11-6-10(12(11,2)3)14-8-9(7-13)15-4/h9-11,14H,5-8,13H2,1-4H3.
What are the key properties of N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine?
N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine has a molecular weight of 230.35 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methoxypropane-1,3-diamine is sourced from PubChem (CID 106115161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).