[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine

C16H32N2O — CID 106872730

IUPAC[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine
SMILESCOC1CCCCC1(CN)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C16H32N2O/c1-15(2,3)13-8-10-18(11-13)16(12-17)9-6-5-7-14(16)19-4/h13-14H,5-12,17H2,1-4H3
InChIKeyTWFUQECMXXOMHK-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds3

About [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine

[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine (PubChem CID 106872730) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine
PubChem CID106872730
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine
SMILESCOC1CCCCC1(CN)N1CCC(C(C)(C)C)C1
InChIInChI=1S/C16H32N2O/c1-15(2,3)13-8-10-18(11-13)16(12-17)9-6-5-7-14(16)19-4/h13-14H,5-12,17H2,1-4H3
InChIKeyTWFUQECMXXOMHK-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872557
[2-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 106872497
1-[1-[1-(aminomethyl)-2-methoxycyclohexyl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 106872340
[2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)cyclohexyl]methanamine
CID 106872792
[3-(3-tert-butylpyrrolidin-1-yl)-1,1-dioxothiolan-3-yl]methanamine
CID 113417076
[1-(4-methoxypiperidin-1-yl)-2-methylcyclohexyl]methanamine
CID 43372747
[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103563130
[2-ethyl-1-[3-(methoxymethyl)piperidin-1-yl]cyclohexyl]methanamine
CID 106586356
[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82719050
[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718302
[2,3-dimethyl-1-(3-propylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 113417186
1-(aminomethyl)-N-(2-cyclopropylethyl)-2-methoxycyclohexan-1-amine
CID 106872628

Frequently Asked Questions

What is the IUPAC name of [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine (CID 106872730) is [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine is COC1CCCCC1(CN)N1CCC(C(C)(C)C)C1.
What is the InChIKey of [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine?
The InChIKey is TWFUQECMXXOMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-15(2,3)13-8-10-18(11-13)16(12-17)9-6-5-7-14(16)19-4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine?
[1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-tert-butylpyrrolidin-1-yl)-2-methoxycyclohexyl]methanamine is sourced from PubChem (CID 106872730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).