3-(2-adamantyl)-1-butylpyrrolidine

C18H31N — CID 3012264

IUPAC3-(2-adamantyl)-1-butylpyrrolidine
SMILESCCCCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H31N/c1-2-3-5-19-6-4-15(12-19)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,2-12H2,1H3
InChIKeyPCNHTAACIAUXRN-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.18
Rot. Bonds4

About 3-(2-adamantyl)-1-butylpyrrolidine

3-(2-adamantyl)-1-butylpyrrolidine (PubChem CID 3012264) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is 3-(2-adamantyl)-1-butylpyrrolidine.

Molecular Properties

Compound Name3-(2-adamantyl)-1-butylpyrrolidine
PubChem CID3012264
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC Name3-(2-adamantyl)-1-butylpyrrolidine
SMILESCCCCN1CCC(C2C3CC4CC(C3)CC2C4)C1
InChIInChI=1S/C18H31N/c1-2-3-5-19-6-4-15(12-19)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,2-12H2,1H3
InChIKeyPCNHTAACIAUXRN-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-adamantyl)pyrrolidin-1-yl]-N,N-diethylethanamine
CID 3012266
2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 67672486
3-bromo-1-butylpyrrolidine
CID 80676410
2-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;dimethoxysilane
CID 173320072
1-(1-butylpyrrolidin-3-yl)-3,5-dimethylpiperidine
CID 91416096
2-butyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 123306364
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
(3S)-1-butyl-3-(difluoromethyl)pyrrolidine
CID 175738561
2-propyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
CID 58878293
1-butyl-3-methylpiperidine-4-thiol
CID 119028789
(3aS,6aS)-5-butyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrole
CID 64850440

Frequently Asked Questions

What is the IUPAC name of 3-(2-adamantyl)-1-butylpyrrolidine?
The IUPAC name of 3-(2-adamantyl)-1-butylpyrrolidine (CID 3012264) is 3-(2-adamantyl)-1-butylpyrrolidine.
What is the SMILES notation for 3-(2-adamantyl)-1-butylpyrrolidine?
The canonical SMILES for 3-(2-adamantyl)-1-butylpyrrolidine is CCCCN1CCC(C2C3CC4CC(C3)CC2C4)C1.
What is the InChIKey of 3-(2-adamantyl)-1-butylpyrrolidine?
The InChIKey is PCNHTAACIAUXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-2-3-5-19-6-4-15(12-19)18-16-8-13-7-14(10-16)11-17(18)9-13/h13-18H,2-12H2,1H3.
What are the key properties of 3-(2-adamantyl)-1-butylpyrrolidine?
3-(2-adamantyl)-1-butylpyrrolidine has a molecular weight of 261.45 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 3-(2-adamantyl)-1-butylpyrrolidine is sourced from PubChem (CID 3012264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).