[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone

C14H25NO2 — CID 107138477

IUPAC[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone
SMILESCC1CCC(CN)(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-4-6-14(10-15,7-5-11)13(16)12-3-2-8-17-9-12/h11-12H,2-10,15H2,1H3
InChIKeyMPDLDZXMRYKGEG-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.14
Rot. Bonds3

About [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone

[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone (PubChem CID 107138477) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone
PubChem CID107138477
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone
SMILESCC1CCC(CN)(C(=O)C2CCCOC2)CC1
InChIInChI=1S/C14H25NO2/c1-11-4-6-14(10-15,7-5-11)13(16)12-3-2-8-17-9-12/h11-12H,2-10,15H2,1H3
InChIKeyMPDLDZXMRYKGEG-UHFFFAOYSA-N
XLogP2.14
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-cyclopentylmethanone
CID 116602976
[4-(aminomethyl)oxan-4-yl]-(3,5-dimethylcyclohexyl)methanone
CID 116603187
[1-(aminomethyl)-4-methylcyclohexyl]-(3-methylmorpholin-4-yl)methanone
CID 113310457
[1-(aminomethyl)cyclobutyl]-cyclopentylmethanone
CID 116600201
N-[1-(chloromethyl)-4-methylcyclohexyl]oxane-3-carboxamide
CID 113273232
1-[1-(aminomethyl)-4-methylcyclohexyl]butan-1-one
CID 116604029
(2-methyloxolan-2-yl)-(oxan-3-yl)methanone
CID 107135958
1-(aminomethyl)-N-ethyl-4-methyl-N-(oxolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 115441782
N-(1-cyano-4-methylcyclohexyl)oxane-3-carboxamide
CID 55151061
N-[[1-(aminomethyl)cyclopentyl]methyl]oxane-3-carboxamide
CID 115365575
oxane-3-carboxamide
CID 22714381
propyl 1-(aminomethyl)-4-methylcyclohexane-1-carboxylate
CID 115442863

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone?
The IUPAC name of [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone (CID 107138477) is [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone is CC1CCC(CN)(C(=O)C2CCCOC2)CC1.
What is the InChIKey of [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone?
The InChIKey is MPDLDZXMRYKGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-4-6-14(10-15,7-5-11)13(16)12-3-2-8-17-9-12/h11-12H,2-10,15H2,1H3.
What are the key properties of [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone?
[1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-methylcyclohexyl]-(oxan-3-yl)methanone is sourced from PubChem (CID 107138477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).