1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine

C18H33N — CID 91059696

IUPAC1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(C2CCC=C(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H33N/c1-14(2)15-11-12-19(13-15)17-8-6-7-16(9-10-17)18(3,4)5/h7,14-15,17H,6,8-13H2,1-5H3
InChIKeySVOKDBMXUKLEER-UHFFFAOYSA-N
MW263.47 g/mol
LogP4.88
Rot. Bonds2

About 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine

1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine (PubChem CID 91059696) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine
PubChem CID91059696
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine
SMILESCC(C)C1CCN(C2CCC=C(C(C)(C)C)CC2)C1
InChIInChI=1S/C18H33N/c1-14(2)15-11-12-19(13-15)17-8-6-7-16(9-10-17)18(3,4)5/h7,14-15,17H,6,8-13H2,1-5H3
InChIKeySVOKDBMXUKLEER-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]piperidine
CID 148627531
1-cycloheptyl-3-propan-2-ylpiperidine
CID 163393179
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,7,8-octahydropyrido[1,2-c]pyrimidine
CID 166996503
3-(4-propan-2-ylcyclohexyl)-3,9-diazabicyclo[4.2.1]nonane
CID 113284769
1-(1-cyclooctylpyrrolidin-3-yl)ethanamine
CID 103975759
(3R,4R)-4-(3-propan-2-ylpyrrolidin-1-yl)pyrrolidin-3-ol
CID 122236872
7-propan-2-yl-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazine
CID 170106719
1-(4-tert-butylphenyl)-4-propan-2-ylpiperidine;ethane
CID 145175028
1-tert-butylcyclopentene;methane
CID 160666410
1-methyl-3-propan-2-ylpyrrolidine
CID 21355395
2-propan-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 59036114

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine?
The IUPAC name of 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine (CID 91059696) is 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine?
The canonical SMILES for 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine is CC(C)C1CCN(C2CCC=C(C(C)(C)C)CC2)C1.
What is the InChIKey of 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine?
The InChIKey is SVOKDBMXUKLEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-14(2)15-11-12-19(13-15)17-8-6-7-16(9-10-17)18(3,4)5/h7,14-15,17H,6,8-13H2,1-5H3.
What are the key properties of 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine?
1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine has a molecular weight of 263.47 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohept-4-en-1-yl)-3-propan-2-ylpyrrolidine is sourced from PubChem (CID 91059696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).