2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine

C13H27NO — CID 103273327

IUPAC2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
SMILESCCCOC1(CCNC(C)(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-5-11-15-13(7-6-8-13)9-10-14-12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyBMXAWOUFQLIJLD-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.11
Rot. Bonds6

About 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine

2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine (PubChem CID 103273327) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
PubChem CID103273327
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine
SMILESCCCOC1(CCNC(C)(C)C)CCC1
InChIInChI=1S/C13H27NO/c1-5-11-15-13(7-6-8-13)9-10-14-12(2,3)4/h14H,5-11H2,1-4H3
InChIKeyBMXAWOUFQLIJLD-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-ethoxycyclobutyl)ethyl]-2-methylpropan-2-amine
CID 103273053
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
2-methyl-N-[2-[1-(2-pyrrolidin-1-ylethoxy)cyclobutyl]ethyl]propan-2-amine
CID 103273661
N-[2-[1-[2-[di(propan-2-yl)amino]ethoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274335
N-[2-[1-[3-(2-methoxyethoxy)propoxy]cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103406608
2-(1-butoxycyclobutyl)-N-ethylethanamine
CID 103273334
N-[2-[1-(4-ethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103273548
N-[2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]ethyl]propan-1-amine
CID 103274392
2-[1-(2-ethoxyethoxy)cyclobutyl]-N-ethylethanamine
CID 103273067
N-[(4-tert-butyl-1-propoxycyclohexyl)methyl]-2-methylpropan-2-amine
CID 63473883
2-methyl-N-[(1-octoxycyclohexyl)methyl]propan-2-amine
CID 63476269
(1-propoxycyclobutyl)methanol
CID 151153124

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine (CID 103273327) is 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine is CCCOC1(CCNC(C)(C)C)CCC1.
What is the InChIKey of 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine?
The InChIKey is BMXAWOUFQLIJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-11-15-13(7-6-8-13)9-10-14-12(2,3)4/h14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine?
2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-propoxycyclobutyl)ethyl]propan-2-amine is sourced from PubChem (CID 103273327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).