N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine

C16H32N2O — CID 64581779

IUPACN-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCC(COC)C1
InChIInChI=1S/C16H32N2O/c1-4-17-16-6-5-13(2)9-15(16)11-18-8-7-14(10-18)12-19-3/h13-17H,4-12H2,1-3H3
InChIKeySQFVYIKUWTYWQR-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.37
Rot. Bonds6

About N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine

N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine (PubChem CID 64581779) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
PubChem CID64581779
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1CN1CCC(COC)C1
InChIInChI=1S/C16H32N2O/c1-4-17-16-6-5-13(2)9-15(16)11-18-8-7-14(10-18)12-19-3/h13-17H,4-12H2,1-3H3
InChIKeySQFVYIKUWTYWQR-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-ylmethyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 62616066
N-ethyl-4-methyl-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclohexan-1-amine
CID 66371197
N-ethyl-5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855421
2-[(4-methoxypiperidin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 62615391
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propylcycloheptan-1-amine
CID 63973579
N-ethyl-4-methyl-2-(1,4-oxazepan-4-ylmethyl)cyclohexan-1-amine
CID 62972825
2-[(4,4-dimethylazepan-1-yl)methyl]-N-ethyl-4-methylcyclohexan-1-amine
CID 65282251
1-[[2-(ethylamino)-5-methylcyclohexyl]methyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81474572
N-ethyl-4-methyl-2-[(3,3,4-trimethylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 63620914
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methyl-N-propylcyclohexan-1-amine
CID 63635303
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
4-methyl-2-(piperidin-1-ylmethyl)-N-propylcyclohexan-1-amine
CID 62614642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine (CID 64581779) is N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1CN1CCC(COC)C1.
What is the InChIKey of N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine?
The InChIKey is SQFVYIKUWTYWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-17-16-6-5-13(2)9-15(16)11-18-8-7-14(10-18)12-19-3/h13-17H,4-12H2,1-3H3.
What are the key properties of N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine?
N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 64581779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).