1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol

C14H30N2O — CID 112624601

IUPAC1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(N1CCC(C(C)O)C1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-6-12(15)13(14(3,4)5)16-8-7-11(9-16)10(2)17/h10-13,17H,6-9,15H2,1-5H3
InChIKeyVFVOIOCKJJMYKW-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.84
Rot. Bonds4

About 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol

1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112624601) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
PubChem CID112624601
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol
SMILESCCC(N)C(N1CCC(C(C)O)C1)C(C)(C)C
InChIInChI=1S/C14H30N2O/c1-6-12(15)13(14(3,4)5)16-8-7-11(9-16)10(2)17/h10-13,17H,6-9,15H2,1-5H3
InChIKeyVFVOIOCKJJMYKW-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol (CID 112624601) is 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol is CCC(N)C(N1CCC(C(C)O)C1)C(C)(C)C.
What is the InChIKey of 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is VFVOIOCKJJMYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-6-12(15)13(14(3,4)5)16-8-7-11(9-16)10(2)17/h10-13,17H,6-9,15H2,1-5H3.
What are the key properties of 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol?
1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 242.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-2,2-dimethylhexan-3-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).