1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine

C9H20N2O — CID 106821984

IUPAC1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine
SMILESCCNC1(CN)CC(OCC)C1
InChIInChI=1S/C9H20N2O/c1-3-11-9(7-10)5-8(6-9)12-4-2/h8,11H,3-7,10H2,1-2H3
InChIKeyJVFFLFTWKZZCAT-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.49
Rot. Bonds5

About 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine

1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine (PubChem CID 106821984) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine
PubChem CID106821984
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine
SMILESCCNC1(CN)CC(OCC)C1
InChIInChI=1S/C9H20N2O/c1-3-11-9(7-10)5-8(6-9)12-4-2/h8,11H,3-7,10H2,1-2H3
InChIKeyJVFFLFTWKZZCAT-UHFFFAOYSA-N
XLogP0.49
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-3-ethoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 106822173
1-(aminomethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 106822174
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine
CID 106822244
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine
CID 106822245
3-Amino-3-[(propan-2-ylamino)methyl]cyclobutan-1-ol
CID 90322695
3-(Aminomethyl)-3-(ethylamino)cyclobutan-1-ol
CID 90323042
3-Butoxy-1-(methylaminomethyl)cyclobutan-1-amine
CID 90323044
1-(aminomethyl)-3-butoxy-N-ethylcyclobutan-1-amine
CID 90327518
3-Butoxy-1-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 90327586
N-tert-butyl-N'-(2-methyl-5-propan-2-yloxyhexan-2-yl)ethane-1,2-diamine
CID 138713215
N'-tert-butyl-N-(3-propan-2-yloxybutyl)ethane-1,2-diamine
CID 139518768
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 156227900

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine (CID 106821984) is 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine is CCNC1(CN)CC(OCC)C1.
What is the InChIKey of 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine?
The InChIKey is JVFFLFTWKZZCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-3-11-9(7-10)5-8(6-9)12-4-2/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine?
1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3-ethoxy-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 106821984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).