7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine

C22H46N2 — CID 166564865

IUPAC7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine
SMILESCC(C)(C)CCNCCCCCCCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C22H46N2/c1-21(2,3)14-16-23-15-10-8-7-9-11-17-24-18-12-13-20(19-24)22(4,5)6/h20,23H,7-19H2,1-6H3
InChIKeyCJYREUGJDHTLBY-UHFFFAOYSA-N
MW338.62 g/mol
LogP5.72
Rot. Bonds10

About 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine

7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine (PubChem CID 166564865) has the molecular formula C22H46N2 and a molecular weight of 338.62 g/mol. Its IUPAC name is 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine.

Molecular Properties

Compound Name7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine
PubChem CID166564865
Molecular FormulaC22H46N2
Molecular Weight338.62 g/mol
Exact Mass338.37
IUPAC Name7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine
SMILESCC(C)(C)CCNCCCCCCCN1CCCC(C(C)(C)C)C1
InChIInChI=1S/C22H46N2/c1-21(2,3)14-16-23-15-10-8-7-9-11-17-24-18-12-13-20(19-24)22(4,5)6/h20,23H,7-19H2,1-6H3
InChIKeyCJYREUGJDHTLBY-UHFFFAOYSA-N
XLogP5.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.62
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-1-(8,8-dimethylnonyl)piperidine
CID 152833336
5-(3-tert-butylpyrrolidin-1-yl)-N-propan-2-ylpentan-1-amine
CID 113418984
N-[2-(3-ethylpiperidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561731
3-(3-tert-butylpiperidin-1-yl)propanenitrile
CID 58395073
3-tert-butyl-1-ethylpiperidine;ethane
CID 155704046
N-ethyl-4-(3-methylpiperidin-1-yl)butan-1-amine
CID 62437965
4-(3-propoxypiperidin-1-yl)-N-propylbutan-1-amine
CID 62411709
(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine
CID 58573528
3-methoxy-N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]propan-1-amine
CID 62574425
N-[2-(3-methoxypyrrolidin-1-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 103540057
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
2-methyl-2-[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]propanoic acid
CID 83197238

Frequently Asked Questions

What is the IUPAC name of 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine?
The IUPAC name of 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine (CID 166564865) is 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine.
What is the SMILES notation for 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine?
The canonical SMILES for 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine is CC(C)(C)CCNCCCCCCCN1CCCC(C(C)(C)C)C1.
What is the InChIKey of 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine?
The InChIKey is CJYREUGJDHTLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H46N2/c1-21(2,3)14-16-23-15-10-8-7-9-11-17-24-18-12-13-20(19-24)22(4,5)6/h20,23H,7-19H2,1-6H3.
What are the key properties of 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine?
7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine has a molecular weight of 338.62 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-tert-butylpiperidin-1-yl)-N-(3,3-dimethylbutyl)heptan-1-amine is sourced from PubChem (CID 166564865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).