N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine

C11H21NO — CID 106813007

IUPACN-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1(CNCC2CCCO2)CCC1
InChIInChI=1S/C11H21NO/c1-11(5-3-6-11)9-12-8-10-4-2-7-13-10/h10,12H,2-9H2,1H3
InChIKeyQGHQWSIFNJADPT-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.95
Rot. Bonds4

About N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine

N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine (PubChem CID 106813007) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
PubChem CID106813007
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine
SMILESCC1(CNCC2CCCO2)CCC1
InChIInChI=1S/C11H21NO/c1-11(5-3-6-11)9-12-8-10-4-2-7-13-10/h10,12H,2-9H2,1H3
InChIKeyQGHQWSIFNJADPT-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylpiperidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63133020
N-[(1-methylcyclopentyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 65163534
N-[(1-methylcyclobutyl)methyl]-1-(4-methylmorpholin-2-yl)methanamine
CID 106813132
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
1-(2,2-dimethylcyclohexyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107178329
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
1-[(oxan-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65109047
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
N-[(3-ethylpyrrolidin-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 63142833
1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
N,N,3-trimethyl-1-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 61212304
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine (CID 106813007) is N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine is CC1(CNCC2CCCO2)CCC1.
What is the InChIKey of N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine?
The InChIKey is QGHQWSIFNJADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(5-3-6-11)9-12-8-10-4-2-7-13-10/h10,12H,2-9H2,1H3.
What are the key properties of N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine?
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine has a molecular weight of 183.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclobutyl)methyl]-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 106813007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).