[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine

C17H34N2 — CID 63471161

IUPAC[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CCC(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-5-16(3,4)15-6-9-17(13-18,10-7-15)19-11-8-14(2)12-19/h14-15H,5-13,18H2,1-4H3
InChIKeyNIVBQVNRMHVGBU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds4

About [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine

[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine (PubChem CID 63471161) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
PubChem CID63471161
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
SMILESCCC(C)(C)C1CCC(CN)(N2CCC(C)C2)CC1
InChIInChI=1S/C17H34N2/c1-5-16(3,4)15-6-9-17(13-18,10-7-15)19-11-8-14(2)12-19/h14-15H,5-13,18H2,1-4H3
InChIKeyNIVBQVNRMHVGBU-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,6-dimethylmorpholin-4-yl)-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43080101
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[1-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexyl]methanamine
CID 64755486
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43080296
[1-methyl-3-(3-methylpyrrolidin-1-yl)pyrrolidin-3-yl]methanamine
CID 62976743
[3,3-dimethyl-1-(3-methylpyrrolidin-1-yl)cyclopentyl]methanamine
CID 80705878
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[3-(3-methylpyrrolidin-1-yl)oxolan-3-yl]methanamine
CID 63335279
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[4-methyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 63623138
[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103563130

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The IUPAC name of [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine (CID 63471161) is [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine is CCC(C)(C)C1CCC(CN)(N2CCC(C)C2)CC1.
What is the InChIKey of [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
The InChIKey is NIVBQVNRMHVGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-5-16(3,4)15-6-9-17(13-18,10-7-15)19-11-8-14(2)12-19/h14-15H,5-13,18H2,1-4H3.
What are the key properties of [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine?
[4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylbutan-2-yl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 63471161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).