2-methoxy-3-pentoxycyclobutan-1-amine

C10H21NO2 — CID 104674665

IUPAC2-methoxy-3-pentoxycyclobutan-1-amine
SMILESCCCCCOC1CC(N)C1OC
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-13-9-7-8(11)10(9)12-2/h8-10H,3-7,11H2,1-2H3
InChIKeyIHFJBIVORMKJEE-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds6

About 2-methoxy-3-pentoxycyclobutan-1-amine

2-methoxy-3-pentoxycyclobutan-1-amine (PubChem CID 104674665) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methoxy-3-pentoxycyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-pentoxycyclobutan-1-amine
PubChem CID104674665
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methoxy-3-pentoxycyclobutan-1-amine
SMILESCCCCCOC1CC(N)C1OC
InChIInChI=1S/C10H21NO2/c1-3-4-5-6-13-9-7-8(11)10(9)12-2/h8-10H,3-7,11H2,1-2H3
InChIKeyIHFJBIVORMKJEE-UHFFFAOYSA-N
XLogP1.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutoxy)-2-methoxycyclobutan-1-amine
CID 104674930
4-pentoxycyclohexane-1,3-diamine
CID 139764970
2-heptoxy-4-methylcyclohexan-1-amine
CID 43127507
1-chloro-3-pentoxy-2-propoxycyclobutane
CID 107942901
2-octoxycyclohexan-1-amine
CID 43127889
3-(cyclopropylmethoxy)-2-methoxycyclobutan-1-amine
CID 104674531
2-hexoxycyclododecan-1-amine
CID 43127854
1-chloro-3-octoxy-2-propoxycyclobutane
CID 107942863
2-ethyl-3-methoxy-4-pentoxyoxolane
CID 148653277
3-(cyclohexylmethoxy)-2-methoxycyclobutan-1-amine
CID 104674815
2-butoxycyclohexan-1-amine
CID 43267617
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-pentoxycyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-pentoxycyclobutan-1-amine (CID 104674665) is 2-methoxy-3-pentoxycyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-pentoxycyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-pentoxycyclobutan-1-amine is CCCCCOC1CC(N)C1OC.
What is the InChIKey of 2-methoxy-3-pentoxycyclobutan-1-amine?
The InChIKey is IHFJBIVORMKJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-5-6-13-9-7-8(11)10(9)12-2/h8-10H,3-7,11H2,1-2H3.
What are the key properties of 2-methoxy-3-pentoxycyclobutan-1-amine?
2-methoxy-3-pentoxycyclobutan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-pentoxycyclobutan-1-amine is sourced from PubChem (CID 104674665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).