2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine

C19H38N2 — CID 65094826

IUPAC2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(C2CCCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N2/c1-19(2,3)17-6-5-7-18(9-8-17)21-14-11-16(12-15-21)10-13-20-4/h16-18,20H,5-15H2,1-4H3
InChIKeyFIBOJEPWWDEMJP-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.30
Rot. Bonds4

About 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine

2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine (PubChem CID 65094826) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine
PubChem CID65094826
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine
SMILESCNCCC1CCN(C2CCCC(C(C)(C)C)CC2)CC1
InChIInChI=1S/C19H38N2/c1-19(2,3)17-6-5-7-18(9-8-17)21-14-11-16(12-15-21)10-13-20-4/h16-18,20H,5-15H2,1-4H3
InChIKeyFIBOJEPWWDEMJP-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-tert-butylazepan-1-yl)-N-methylcyclohexan-1-amine
CID 114763379
2-[1-(3,5-dimethylcyclohexyl)piperidin-4-yl]-N-methylethanamine
CID 64753096
[1-(4-tert-butylcycloheptyl)piperidin-3-yl]methanamine
CID 65095184
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
CID 79880572
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
1-(4-tert-butylcyclohexyl)-4-(3,3-dimethylcyclohexyl)piperazine
CID 14553998
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
1,4-ditert-butylcycloheptane
CID 58579546
1-(4-tert-butylcyclohexyl)-4-ethylpiperazine
CID 784591
N-methyl-2-[1-(2-methylsulfonylcyclopentyl)piperidin-4-yl]ethanamine
CID 65045146
2-[1-(5,5-dimethylthian-3-yl)piperidin-4-yl]-N-methylethanamine
CID 79946802

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine?
The IUPAC name of 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine (CID 65094826) is 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine?
The canonical SMILES for 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine is CNCCC1CCN(C2CCCC(C(C)(C)C)CC2)CC1.
What is the InChIKey of 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine?
The InChIKey is FIBOJEPWWDEMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-19(2,3)17-6-5-7-18(9-8-17)21-14-11-16(12-15-21)10-13-20-4/h16-18,20H,5-15H2,1-4H3.
What are the key properties of 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine?
2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine has a molecular weight of 294.53 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-tert-butylcycloheptyl)piperidin-4-yl]-N-methylethanamine is sourced from PubChem (CID 65094826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).