N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine

C13H26N2O — CID 104870840

IUPACN-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCCN2CCCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-16-13-10-12(11-13)14-6-9-15-7-4-2-3-5-8-15/h12-14H,2-11H2,1H3
InChIKeyPPPMTQPLCDCLDD-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.63
Rot. Bonds5

About N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine

N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine (PubChem CID 104870840) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
PubChem CID104870840
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine
SMILESCOC1CC(NCCN2CCCCCC2)C1
InChIInChI=1S/C13H26N2O/c1-16-13-10-12(11-13)14-6-9-15-7-4-2-3-5-8-15/h12-14H,2-11H2,1H3
InChIKeyPPPMTQPLCDCLDD-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepan-1-yl)ethyl]-3-methoxycyclohexan-1-amine
CID 106872015
1-N-[2-(azepan-1-yl)ethyl]cyclobutane-1,3-diamine
CID 80560908
N-[2-(azepan-1-yl)ethyl]cyclopropanamine
CID 54773126
1-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1,3-diamine
CID 80559719
3-propan-2-yl-N-(2-pyrrolidin-1-ylethyl)cyclobutan-1-amine
CID 103560886
N-(2-pyrrolidin-1-ylethyl)cyclohexanamine
CID 43181622
N-(2-pyrrolidin-1-ylethyl)cyclopropanamine
CID 54773109
N-[2-(azepan-1-yl)ethyl]-1-ethylpiperidin-4-amine
CID 61240570
3-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentan-1-amine
CID 64501657
3-ethyl-N-(2-piperidin-1-ylethyl)cyclopentan-1-amine
CID 64500277
N-[2-(3-methoxypiperidin-1-yl)ethyl]oxan-4-amine
CID 102968342
N-[2-(azepan-1-yl)ethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 115998876

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine?
The IUPAC name of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine (CID 104870840) is N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine.
What is the SMILES notation for N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine?
The canonical SMILES for N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine is COC1CC(NCCN2CCCCCC2)C1.
What is the InChIKey of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine?
The InChIKey is PPPMTQPLCDCLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-16-13-10-12(11-13)14-6-9-15-7-4-2-3-5-8-15/h12-14H,2-11H2,1H3.
What are the key properties of N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine?
N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)ethyl]-3-methoxycyclobutan-1-amine is sourced from PubChem (CID 104870840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).