N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine

C13H25NO — CID 115889581

IUPACN-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCC1(C)CCCC1)C1CCOC1
InChIInChI=1S/C13H25NO/c1-11(12-5-8-15-9-12)14-10-13(2)6-3-4-7-13/h11-12,14H,3-10H2,1-2H3
InChIKeyBNULOXJYCOIICI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine

N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine (PubChem CID 115889581) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
PubChem CID115889581
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine
SMILESCC(NCC1(C)CCCC1)C1CCOC1
InChIInChI=1S/C13H25NO/c1-11(12-5-8-15-9-12)14-10-13(2)6-3-4-7-13/h11-12,14H,3-10H2,1-2H3
InChIKeyBNULOXJYCOIICI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 103902883
N,N-dimethyl-1-[[1-(oxolan-3-yl)ethylamino]methyl]cyclopentan-1-amine
CID 115707728
N-[(2-methylthiolan-2-yl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115728211
1-cyclopentyl-N-[(4-methyloxan-4-yl)methyl]ethanamine
CID 115893016
tert-butyl 3-methyl-3-[[1-(oxolan-3-yl)ethylamino]methyl]piperidine-1-carboxylate
CID 104537846
1-cyclohexyl-N-[(1-methylcyclobutyl)methyl]ethanamine;hydrochloride
CID 115683928
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
[1-[[1-(oxan-4-yl)ethylamino]methyl]cyclohexyl]methanol
CID 103903221
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912
(1S)-1-cycloheptyl-N-[(3-methyloxetan-3-yl)methyl]ethanamine
CID 81393158
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
2-[1-(oxolan-3-yl)ethylamino]-N-propan-2-ylacetamide
CID 115707603

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine?
The IUPAC name of N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine (CID 115889581) is N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine.
What is the SMILES notation for N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine?
The canonical SMILES for N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine is CC(NCC1(C)CCCC1)C1CCOC1.
What is the InChIKey of N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine?
The InChIKey is BNULOXJYCOIICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11(12-5-8-15-9-12)14-10-13(2)6-3-4-7-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine?
N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylcyclopentyl)methyl]-1-(oxolan-3-yl)ethanamine is sourced from PubChem (CID 115889581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).