N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine

C16H32N2O — CID 103538949

IUPACN-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1CN1CCC(OC)C1
InChIInChI=1S/C16H32N2O/c1-5-17-15-6-8-16(2,3)10-13(15)11-18-9-7-14(12-18)19-4/h13-15,17H,5-12H2,1-4H3
InChIKeyAYYXGTZWTKHKOD-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds5

About N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine

N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 103538949) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID103538949
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1CN1CCC(OC)C1
InChIInChI=1S/C16H32N2O/c1-5-17-15-6-8-16(2,3)10-13(15)11-18-9-7-14(12-18)19-4/h13-15,17H,5-12H2,1-4H3
InChIKeyAYYXGTZWTKHKOD-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(3-methoxypiperidin-1-yl)-4,4-dimethylcyclohexan-1-amine
CID 102965548
2-[(3-methoxypiperidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 102967584
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-N,4,4-trimethylcyclohexan-1-amine
CID 102967140
2-[(3-methoxypyrrolidin-1-yl)methyl]-N-methylcyclohexan-1-amine
CID 103538860
[1-[[2-(ethylamino)-5,5-dimethylcyclohexyl]methyl]azepan-2-yl]methanol
CID 116638115
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
N-ethyl-2-[2-(3-methoxypiperidin-1-yl)ethyl]cyclopentan-1-amine
CID 102965669
2-[(3-methoxypyrrolidin-1-yl)methyl]cyclopentan-1-ol
CID 103539245
(3R)-1-(cyclopentylmethyl)-3-methoxypyrrolidine
CID 126986050
N-ethyl-2-[(3-methoxypiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 102967402
N-ethyl-2-(3-methoxypyrrolidin-1-yl)ethanamine
CID 103532306

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 103538949) is N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1CN1CCC(OC)C1.
What is the InChIKey of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is AYYXGTZWTKHKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-5-17-15-6-8-16(2,3)10-13(15)11-18-9-7-14(12-18)19-4/h13-15,17H,5-12H2,1-4H3.
What are the key properties of N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(3-methoxypyrrolidin-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103538949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).