N-[(3-methoxycyclobutyl)methyl]propan-2-amine

C9H19NO — CID 106824560

IUPACN-[(3-methoxycyclobutyl)methyl]propan-2-amine
SMILESCOC1CC(CNC(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-6-8-4-9(5-8)11-3/h7-10H,4-6H2,1-3H3
InChIKeyCIXYSGJXYCBJJO-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.41
Rot. Bonds4

About N-[(3-methoxycyclobutyl)methyl]propan-2-amine

N-[(3-methoxycyclobutyl)methyl]propan-2-amine (PubChem CID 106824560) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-[(3-methoxycyclobutyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methoxycyclobutyl)methyl]propan-2-amine
PubChem CID106824560
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-[(3-methoxycyclobutyl)methyl]propan-2-amine
SMILESCOC1CC(CNC(C)C)C1
InChIInChI=1S/C9H19NO/c1-7(2)10-6-8-4-9(5-8)11-3/h7-10H,4-6H2,1-3H3
InChIKeyCIXYSGJXYCBJJO-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxycyclobutyl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methoxycyclobutyl)methyl]propan-2-amine (CID 106824560) is N-[(3-methoxycyclobutyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methoxycyclobutyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methoxycyclobutyl)methyl]propan-2-amine is COC1CC(CNC(C)C)C1.
What is the InChIKey of N-[(3-methoxycyclobutyl)methyl]propan-2-amine?
The InChIKey is CIXYSGJXYCBJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7(2)10-6-8-4-9(5-8)11-3/h7-10H,4-6H2,1-3H3.
What are the key properties of N-[(3-methoxycyclobutyl)methyl]propan-2-amine?
N-[(3-methoxycyclobutyl)methyl]propan-2-amine has a molecular weight of 157.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxycyclobutyl)methyl]propan-2-amine is sourced from PubChem (CID 106824560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).