1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol

C9H19NO — CID 62976534

IUPAC1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CC1(O)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)6-9(11)4-5-10(3)7-9/h8,11H,4-7H2,1-3H3
InChIKeyKGUMXGIQJMJVPQ-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.10
Rot. Bonds2

About 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol

1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol (PubChem CID 62976534) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol
PubChem CID62976534
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol
SMILESCC(C)CC1(O)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-8(2)6-9(11)4-5-10(3)7-9/h8,11H,4-7H2,1-3H3
InChIKeyKGUMXGIQJMJVPQ-UHFFFAOYSA-N
XLogP1.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol?
The IUPAC name of 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol (CID 62976534) is 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol is CC(C)CC1(O)CCN(C)C1.
What is the InChIKey of 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol?
The InChIKey is KGUMXGIQJMJVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-9(11)4-5-10(3)7-9/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol?
1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol is sourced from PubChem (CID 62976534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).