1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine

C16H29N — CID 162753504

IUPAC1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine
SMILESC=C(CC1CC(CC)C1)N1CCC(C)(C)CC1
InChIInChI=1S/C16H29N/c1-5-14-11-15(12-14)10-13(2)17-8-6-16(3,4)7-9-17/h14-15H,2,5-12H2,1,3-4H3
InChIKeyDXFAWZDIPZNUKK-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.45
Rot. Bonds4

About 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine

1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine (PubChem CID 162753504) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine
PubChem CID162753504
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine
SMILESC=C(CC1CC(CC)C1)N1CCC(C)(C)CC1
InChIInChI=1S/C16H29N/c1-5-14-11-15(12-14)10-13(2)17-8-6-16(3,4)7-9-17/h14-15H,2,5-12H2,1,3-4H3
InChIKeyDXFAWZDIPZNUKK-UHFFFAOYSA-N
XLogP4.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
6-but-1-en-2-yl-6-azaspiro[2.5]octane
CID 156718709
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735
2-[1-(4,4-dimethylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 79605697
[(4aR,8aS)-8a-methyl-3-methylidene-4a,5,7,8-tetrahydro-4H-pyrido[4,3-b][1,4]oxazin-6-yl]-(3-ethylazetidin-1-yl)methanone;molecular hydrogen
CID 153403762
1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
CID 167457745
acetylene;4-ethyl-1,1-dimethylcyclohexane
CID 142009722
1-(3-ethylcyclobutyl)-1,3,3-trimethylcyclopentane
CID 91616994
1,3-diethylcyclobutane;methane;propane
CID 161327157
1,3-diethylcyclopentane
CID 530396
2-(cyclopropylmethylamino)-1-(4,4-dimethylazepan-1-yl)ethanone
CID 65280938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine (CID 162753504) is 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine is C=C(CC1CC(CC)C1)N1CCC(C)(C)CC1.
What is the InChIKey of 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine?
The InChIKey is DXFAWZDIPZNUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-5-14-11-15(12-14)10-13(2)17-8-6-16(3,4)7-9-17/h14-15H,2,5-12H2,1,3-4H3.
What are the key properties of 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine?
1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine has a molecular weight of 235.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethylcyclobutyl)prop-1-en-2-yl]-4,4-dimethylpiperidine is sourced from PubChem (CID 162753504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).