1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine

C15H31N — CID 170386744

IUPAC1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine
SMILESCCC(C)(C)CCN1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31N/c1-7-14(3,4)8-9-16-11-13(2)10-15(5,6)12-16/h13H,7-12H2,1-6H3
InChIKeyIMELFRSOOYFKCN-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.18
Rot. Bonds4

About 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine

1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine (PubChem CID 170386744) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine.

Molecular Properties

Compound Name1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine
PubChem CID170386744
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine
SMILESCCC(C)(C)CCN1CC(C)CC(C)(C)C1
InChIInChI=1S/C15H31N/c1-7-14(3,4)8-9-16-11-13(2)10-15(5,6)12-16/h13H,7-12H2,1-6H3
InChIKeyIMELFRSOOYFKCN-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,5-trimethyl-1-propylazepane
CID 18798135
(3aS,6aR)-2-(3,3-dimethylpentyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120680983
3,3,5-trimethyl-1-(piperidin-3-ylmethyl)piperidine;hydrochloride
CID 120848754
3,5,5-trimethyl-1-octylazepane
CID 20533819
1,3,3,5,5,7-hexamethylazocane
CID 70331342
(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 147300512
2,2-dimethyl-5-(2,2,6-trimethylmorpholin-4-yl)pentan-1-amine
CID 65254263
ethane;propane;1,1,3-trimethylcyclobutane
CID 166460974
(2S,4R)-2-ethyl-1,2,4-trimethylpyrrolidine
CID 177010091
2-[(3,5-dimethylpiperidin-1-yl)methyl]-2-methylpentan-1-amine
CID 62263147
1-(3,3-dimethylpentyl)-4-[[4-(4-methylheptan-4-yl)piperidin-1-yl]methyl]piperazine
CID 155135209
3-(3,3-dimethylpentyl)-1-methylpyrrolidine
CID 166971652

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine?
The IUPAC name of 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine (CID 170386744) is 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine.
What is the SMILES notation for 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine?
The canonical SMILES for 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine is CCC(C)(C)CCN1CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine?
The InChIKey is IMELFRSOOYFKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-7-14(3,4)8-9-16-11-13(2)10-15(5,6)12-16/h13H,7-12H2,1-6H3.
What are the key properties of 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine?
1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpentyl)-3,3,5-trimethylpiperidine is sourced from PubChem (CID 170386744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).