N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine

C15H29NO — CID 81030365

IUPACN-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
SMILESCCOCC1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C15H29NO/c1-4-17-11-13-9-15(2,3)8-7-12(13)10-16-14-5-6-14/h12-14,16H,4-11H2,1-3H3
InChIKeyAXSDUTUDURJOPW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds6

About N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine

N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81030365) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
PubChem CID81030365
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
SMILESCCOCC1CC(C)(C)CCC1CNC1CC1
InChIInChI=1S/C15H29NO/c1-4-17-11-13-9-15(2,3)8-7-12(13)10-16-14-5-6-14/h12-14,16H,4-11H2,1-3H3
InChIKeyAXSDUTUDURJOPW-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-ethyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030735
N-[(2-butyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030656
N-[(2-heptyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030361
N-[[2-[(2-bromophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81022470
N-[(2-cyclopentyl-4,4-dimethylcyclohexyl)methyl]cyclopropanamine
CID 81030507
N-[[2-[(2-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023259
N-[[2-[(3-chlorophenyl)methyl]-4,4-dimethylcyclohexyl]methyl]cyclopropanamine
CID 81023802
N-[[5-(ethoxymethyl)oxolan-2-yl]methyl]cyclopropanamine
CID 62444292
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
N-[(4,4-dimethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030736
N-[[4,4-dimethyl-2-(2-methylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81030505
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine (CID 81030365) is N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine is CCOCC1CC(C)(C)CCC1CNC1CC1.
What is the InChIKey of N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is AXSDUTUDURJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-17-11-13-9-15(2,3)8-7-12(13)10-16-14-5-6-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethoxymethyl)-4,4-dimethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81030365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).