N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine

C10H21NO — CID 154957565

IUPACN-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine
SMILESCOC1CC([C@@H](C)NC(C)C)C1
InChIInChI=1S/C10H21NO/c1-7(2)11-8(3)9-5-10(6-9)12-4/h7-11H,5-6H2,1-4H3/t8-,9?,10?/m1/s1
InChIKeyGXDOCOBYEPSKEI-XNWIYYODSA-N
MW171.28 g/mol
LogP1.80
Rot. Bonds4

About N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine

N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine (PubChem CID 154957565) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine
PubChem CID154957565
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine
SMILESCOC1CC([C@@H](C)NC(C)C)C1
InChIInChI=1S/C10H21NO/c1-7(2)11-8(3)9-5-10(6-9)12-4/h7-11H,5-6H2,1-4H3/t8-,9?,10?/m1/s1
InChIKeyGXDOCOBYEPSKEI-XNWIYYODSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine?
The IUPAC name of N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine (CID 154957565) is N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine.
What is the SMILES notation for N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine?
The canonical SMILES for N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine is COC1CC([C@@H](C)NC(C)C)C1.
What is the InChIKey of N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine?
The InChIKey is GXDOCOBYEPSKEI-XNWIYYODSA-N. The full InChI is InChI=1S/C10H21NO/c1-7(2)11-8(3)9-5-10(6-9)12-4/h7-11H,5-6H2,1-4H3/t8-,9?,10?/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine?
N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine has a molecular weight of 171.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-methoxycyclobutyl)ethyl]propan-2-amine is sourced from PubChem (CID 154957565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).