N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine

C13H25NO — CID 81032436

IUPACN-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCOCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C13H25NO/c1-10-3-4-11(8-14-13-5-6-13)12(7-10)9-15-2/h10-14H,3-9H2,1-2H3
InChIKeyYBYBSPVCVRXIBI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.44
Rot. Bonds5

About N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81032436) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81032436
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCOCC1CC(C)CCC1CNC1CC1
InChIInChI=1S/C13H25NO/c1-10-3-4-11(8-14-13-5-6-13)12(7-10)9-15-2/h10-14H,3-9H2,1-2H3
InChIKeyYBYBSPVCVRXIBI-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3,3-dimethylbutyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031901
N-[[4-methyl-2-(3-methylbutyl)cyclohexyl]methyl]cyclopropanamine
CID 81032509
N-[[4-methyl-2-(3-methylsulfanylpropyl)cyclohexyl]methyl]cyclopropanamine
CID 113474785
N-[[4-methyl-2-(3-methylbut-3-enyl)cyclohexyl]methyl]cyclopropanamine
CID 114477751
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[2-(3,5-dimethylcyclohexyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032057
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-(methoxymethyl)-4-methylcyclohexan-1-amine
CID 167020219
N-[[2-[(2,4-dichlorophenyl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81035101
N-[[4-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031760
N-[[4-methyl-2-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexyl]methyl]cyclopropanamine
CID 81031376

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81032436) is N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine is COCC1CC(C)CCC1CNC1CC1.
What is the InChIKey of N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is YBYBSPVCVRXIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-3-4-11(8-14-13-5-6-13)12(7-10)9-15-2/h10-14H,3-9H2,1-2H3.
What are the key properties of N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methoxymethyl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).