1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine

C14H25N — CID 139394865

IUPAC1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
SMILESCC(C)CC1=CC[C@@H](N2CCCC2)CC1
InChIInChI=1S/C14H25N/c1-12(2)11-13-5-7-14(8-6-13)15-9-3-4-10-15/h5,12,14H,3-4,6-11H2,1-2H3/t14-/m1/s1
InChIKeyWZPRRTNAXUFWNI-CQSZACIVSA-N
MW207.36 g/mol
LogP3.61
Rot. Bonds3

About 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine

1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine (PubChem CID 139394865) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine.

Molecular Properties

Compound Name1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
PubChem CID139394865
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine
SMILESCC(C)CC1=CC[C@@H](N2CCCC2)CC1
InChIInChI=1S/C14H25N/c1-12(2)11-13-5-7-14(8-6-13)15-9-3-4-10-15/h5,12,14H,3-4,6-11H2,1-2H3/t14-/m1/s1
InChIKeyWZPRRTNAXUFWNI-CQSZACIVSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.61
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

1-(4-methylcyclohex-3-en-1-yl)pyrrolidine
CID 130471845
4-(2-methylpropyl)-1-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122599461
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
(11bS)-9,10-dimethoxy-3-(2-methylpropyl)-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine
CID 53231573
1-(4-methyl-10-tricyclo[5.5.0.03,5]dodeca-1,6-dienyl)pyrrolidine
CID 143924652
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
3-pyrrolidin-1-ylcyclopentan-1-one
CID 79643269
1-cyclohexylazetidine;2-methylpropane
CID 178017193
bis(2-methylpropyl)-(2-piperidin-1-ylcyclopentyl)alumane
CID 86050289
methane;4-piperidin-1-yl-1-(4-propan-2-ylphenyl)piperidine;bis(1-(4-propan-2-ylphenyl)piperidine)
CID 165092457
1-cyclohex-3-en-1-ylazetidine;ethane;propane
CID 145406615
1-cyclopropylpiperidine
CID 10909573

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine?
The IUPAC name of 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine (CID 139394865) is 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine.
What is the SMILES notation for 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine?
The canonical SMILES for 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine is CC(C)CC1=CC[C@@H](N2CCCC2)CC1.
What is the InChIKey of 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine?
The InChIKey is WZPRRTNAXUFWNI-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N/c1-12(2)11-13-5-7-14(8-6-13)15-9-3-4-10-15/h5,12,14H,3-4,6-11H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine?
1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4-(2-methylpropyl)cyclohex-3-en-1-yl]pyrrolidine is sourced from PubChem (CID 139394865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).