[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol

C12H25NO — CID 106664022

IUPAC[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CC(C)(C)CC1C
InChIInChI=1S/C12H25NO/c1-5-6-13-12(9-14)8-11(3,4)7-10(12)2/h10,13-14H,5-9H2,1-4H3
InChIKeyGCFMABGUNJGPQD-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol

[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol (PubChem CID 106664022) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol
PubChem CID106664022
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CC(C)(C)CC1C
InChIInChI=1S/C12H25NO/c1-5-6-13-12(9-14)8-11(3,4)7-10(12)2/h10,13-14H,5-9H2,1-4H3
InChIKeyGCFMABGUNJGPQD-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol (CID 106664022) is [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CC(C)(C)CC1C.
What is the InChIKey of [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol?
The InChIKey is GCFMABGUNJGPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-6-13-12(9-14)8-11(3,4)7-10(12)2/h10,13-14H,5-9H2,1-4H3.
What are the key properties of [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol?
[2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 106664022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).