N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine

C12H23NO — CID 115887846

IUPACN-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCCC1(CNCC2CCOC2)CCC1
InChIInChI=1S/C12H23NO/c1-2-12(5-3-6-12)10-13-8-11-4-7-14-9-11/h11,13H,2-10H2,1H3
InChIKeyLCBSNNNFOKCOPF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds5

About N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine

N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine (PubChem CID 115887846) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
PubChem CID115887846
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
SMILESCCC1(CNCC2CCOC2)CCC1
InChIInChI=1S/C12H23NO/c1-2-12(5-3-6-12)10-13-8-11-4-7-14-9-11/h11,13H,2-10H2,1H3
InChIKeyLCBSNNNFOKCOPF-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 103969185
N-[[1-(aminomethyl)cyclohexyl]methyl]-1-(oxolan-3-yl)methanamine
CID 115438163
N-[(1-methylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine
CID 115887835
1-[(oxolan-3-ylmethylamino)methyl]cyclopropan-1-amine
CID 65457971
2-(4,4-diethylpiperidin-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 55159679
N-[[1-(chloromethyl)cyclopentyl]methyl]-1-(oxan-4-yl)methanamine
CID 115363368
N-(oxolan-3-ylmethyl)propan-1-amine
CID 22355248
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(oxan-4-yl)methanamine
CID 115244778
N,N,3-trimethyl-1-[(oxolan-3-ylmethylamino)methyl]cyclohexan-1-amine
CID 61211546
1-ethyl-N-(oxan-3-ylmethyl)cyclobutan-1-amine
CID 115907989
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-(oxolan-3-yl)acetamide
CID 122569101
4-hydroxy-4-[(oxolan-3-ylmethylamino)methyl]cyclohexane-1-carboxylic acid
CID 106499198

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine?
The IUPAC name of N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine (CID 115887846) is N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine.
What is the SMILES notation for N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine?
The canonical SMILES for N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine is CCC1(CNCC2CCOC2)CCC1.
What is the InChIKey of N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine?
The InChIKey is LCBSNNNFOKCOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-12(5-3-6-12)10-13-8-11-4-7-14-9-11/h11,13H,2-10H2,1H3.
What are the key properties of N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine?
N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylcyclobutyl)methyl]-1-(oxolan-3-yl)methanamine is sourced from PubChem (CID 115887846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).