N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine

C12H23NO — CID 115713106

IUPACN-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC1CC1CNC(C)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-9-7-12(9)8-13-10(2)11-3-5-14-6-4-11/h9-13H,3-8H2,1-2H3
InChIKeyLPHWLQPAHZJYTM-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.05
Rot. Bonds4

About N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine

N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 115713106) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID115713106
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCC1CC1CNC(C)C1CCOCC1
InChIInChI=1S/C12H23NO/c1-9-7-12(9)8-13-10(2)11-3-5-14-6-4-11/h9-13H,3-8H2,1-2H3
InChIKeyLPHWLQPAHZJYTM-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785
4-[1-(oxan-4-yl)ethylamino]butan-2-ol
CID 115720280
N-[1-(oxan-4-yl)ethyl]prop-2-en-1-amine
CID 103914800
1-cyclopentyl-N-[(2-methylcyclopentyl)methyl]ethanamine
CID 107416947
5-[[1-(oxan-4-yl)ethylamino]methyl]pyrrolidin-2-one
CID 103902361
N-(2-methylsulfanylethyl)-1-(oxan-4-yl)ethanamine
CID 115706242
N-(2-cyclobutylethyl)-1-(oxan-4-yl)ethanamine
CID 115893382
4-methyl-1-[1-(oxan-4-yl)ethylamino]pentan-3-ol
CID 115723515
N-(2-cyclohexylethyl)-1-(oxan-4-yl)ethanamine
CID 113260043
1-cyclopropyl-N-[(2-propan-2-yloxan-3-yl)methyl]ethanamine;hydrochloride
CID 115683912
1-[[1-(oxan-4-yl)ethylamino]methyl]cyclopentan-1-ol
CID 115719665
N-(oxan-3-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115710912

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine (CID 115713106) is N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine is CC1CC1CNC(C)C1CCOCC1.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is LPHWLQPAHZJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9-7-12(9)8-13-10(2)11-3-5-14-6-4-11/h9-13H,3-8H2,1-2H3.
What are the key properties of N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 197.32 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115713106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).