[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine

C19H38N2 — CID 65090041

IUPAC[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine
SMILESCC1CCCN(C2(CN)CCCC(C(C)(C)C)CC2)C1C
InChIInChI=1S/C19H38N2/c1-15-8-7-13-21(16(15)2)19(14-20)11-6-9-17(10-12-19)18(3,4)5/h15-17H,6-14,20H2,1-5H3
InChIKeySPSYACJCXOXUAK-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.43
Rot. Bonds2

About [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine

[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine (PubChem CID 65090041) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine
PubChem CID65090041
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine
SMILESCC1CCCN(C2(CN)CCCC(C(C)(C)C)CC2)C1C
InChIInChI=1S/C19H38N2/c1-15-8-7-13-21(16(15)2)19(14-20)11-6-9-17(10-12-19)18(3,4)5/h15-17H,6-14,20H2,1-5H3
InChIKeySPSYACJCXOXUAK-UHFFFAOYSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2,3-dimethylpiperidin-1-yl)-4-methylcyclohexyl]methanamine
CID 55040418
[4-(2,3-dimethylpiperidin-1-yl)oxan-4-yl]methanamine
CID 62124065
[4-tert-butyl-1-(3,4-dimethylpiperazin-1-yl)cycloheptyl]methanamine
CID 65089417
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[3-(2,3-dimethylpiperidin-1-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 62124600
[4-tert-butyl-1-(3-ethylpiperidin-1-yl)cyclohexyl]methanamine
CID 43584372
[4-(2-methylbutan-2-yl)-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43080296
[4-tert-butyl-1-(2,5-dimethylmorpholin-4-yl)cyclohexyl]methanamine
CID 43544398
(4-tert-butyl-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 29033800
[1-(2,3-dimethylpiperidin-1-yl)-2,4-dimethylcyclohexyl]methanamine
CID 64761359
[4-methyl-1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43176277
[1-(2-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 24697145

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine (CID 65090041) is [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine is CC1CCCN(C2(CN)CCCC(C(C)(C)C)CC2)C1C.
What is the InChIKey of [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine?
The InChIKey is SPSYACJCXOXUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-15-8-7-13-21(16(15)2)19(14-20)11-6-9-17(10-12-19)18(3,4)5/h15-17H,6-14,20H2,1-5H3.
What are the key properties of [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine?
[4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine has a molecular weight of 294.53 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(2,3-dimethylpiperidin-1-yl)cycloheptyl]methanamine is sourced from PubChem (CID 65090041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).