2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine

C14H22NP — CID 10125220

IUPAC2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine
SMILESCC(C)(C)[P@@]1CCC[C@@H]1Cc1ccccn1
InChIInChI=1S/C14H22NP/c1-14(2,3)16-10-6-8-13(16)11-12-7-4-5-9-15-12/h4-5,7,9,13H,6,8,10-11H2,1-3H3/t13-,16+/m1/s1
InChIKeySCLLHZKFWDPYOC-CJNGLKHVSA-N
MW235.31 g/mol
LogP4.07
Rot. Bonds2

About 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine

2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine (PubChem CID 10125220) has the molecular formula C14H22NP and a molecular weight of 235.31 g/mol. Its IUPAC name is 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine
PubChem CID10125220
Molecular FormulaC14H22NP
Molecular Weight235.31 g/mol
Exact Mass235.15
IUPAC Name2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine
SMILESCC(C)(C)[P@@]1CCC[C@@H]1Cc1ccccn1
InChIInChI=1S/C14H22NP/c1-14(2,3)16-10-6-8-13(16)11-12-7-4-5-9-15-12/h4-5,7,9,13H,6,8,10-11H2,1-3H3/t13-,16+/m1/s1
InChIKeySCLLHZKFWDPYOC-CJNGLKHVSA-N
XLogP4.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(2,2-dimethylpropyl)cyclohexyl]methyl]pyridine
CID 58318500
2-(cyclohexylmethyl)pyridine
CID 14762660
2-[[(2S)-pyrrolidin-1-ium-2-yl]methyl]pyridine
CID 7047988
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
2-cyclohexyl-1-pyridin-2-ylpropan-2-ol
CID 114794983
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
4-tert-butyl-2-(pyridin-2-ylmethyl)cyclohexan-1-one
CID 79416698
N-[[4,4-dimethyl-2-(pyridin-2-ylmethyl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81022991
2-[[(2S)-1-propylpyrrolidin-2-yl]methyl]pyridine
CID 71215497
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
9-(pyridin-2-ylmethyl)-9H-indeno[2,1-c]pyridazine
CID 70281945
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine?
The IUPAC name of 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine (CID 10125220) is 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine.
What is the SMILES notation for 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine?
The canonical SMILES for 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine is CC(C)(C)[P@@]1CCC[C@@H]1Cc1ccccn1.
What is the InChIKey of 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine?
The InChIKey is SCLLHZKFWDPYOC-CJNGLKHVSA-N. The full InChI is InChI=1S/C14H22NP/c1-14(2,3)16-10-6-8-13(16)11-12-7-4-5-9-15-12/h4-5,7,9,13H,6,8,10-11H2,1-3H3/t13-,16+/m1/s1.
What are the key properties of 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine?
2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine has a molecular weight of 235.31 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-1-tert-butylphospholan-2-yl]methyl]pyridine is sourced from PubChem (CID 10125220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).