1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol

C12H26N2O — CID 103355589

IUPAC1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol
SMILESCC(C)(CN)CCCN1CCC(C)(O)C1
InChIInChI=1S/C12H26N2O/c1-11(2,9-13)5-4-7-14-8-6-12(3,15)10-14/h15H,4-10,13H2,1-3H3
InChIKeyBVSKXVGNXGWVQR-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.21
Rot. Bonds5

About 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol

1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol (PubChem CID 103355589) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol
PubChem CID103355589
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol
SMILESCC(C)(CN)CCCN1CCC(C)(O)C1
InChIInChI=1S/C12H26N2O/c1-11(2,9-13)5-4-7-14-8-6-12(3,15)10-14/h15H,4-10,13H2,1-3H3
InChIKeyBVSKXVGNXGWVQR-UHFFFAOYSA-N
XLogP1.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Tert-butylpyrrolidin-3-ol hydrochloride
CID 66662240
3-Tert-butylpyrrolidin-3-ol
CID 55296408
1-(3-Amino-4,4-dimethylpentyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 112737796
3-(2,2-Dimethylpropyl)pyrrolidin-3-ol
CID 59352868
3-Tert-butyl-1-methylpyrrolidin-3-ol
CID 65943597
3-(Aminomethyl)-1-(2-methylpropyl)pyrrolidin-3-ol
CID 115014088
3-[2-(Ethylamino)ethyl]pyrrolidin-3-ol
CID 139771415
1-Ethyl-3-(methylaminomethyl)pyrrolidin-3-ol
CID 163816000
Methanamine;1-methyl-3-(2-methylpropyl)pyrrolidin-3-ol
CID 178115227
1-[2-Methyl-2-(propylaminomethyl)pentyl]pyrrolidin-3-ol
CID 55131551
1-[2-(Aminomethyl)-2-methylpentyl]pyrrolidin-3-ol
CID 62941187
1-[2-Methyl-2-(methylaminomethyl)pentyl]pyrrolidin-3-ol
CID 62941364

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol (CID 103355589) is 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol is CC(C)(CN)CCCN1CCC(C)(O)C1.
What is the InChIKey of 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol?
The InChIKey is BVSKXVGNXGWVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-11(2,9-13)5-4-7-14-8-6-12(3,15)10-14/h15H,4-10,13H2,1-3H3.
What are the key properties of 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol?
1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol has a molecular weight of 214.35 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-4,4-dimethylpentyl)-3-methylpyrrolidin-3-ol is sourced from PubChem (CID 103355589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).