1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol

C13H27NO — CID 65212512

IUPAC1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)CN(CC1(O)CCCC1)C(C)C
InChIInChI=1S/C13H27NO/c1-11(2)9-14(12(3)4)10-13(15)7-5-6-8-13/h11-12,15H,5-10H2,1-4H3
InChIKeyCTHADZORKWZVDB-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.66
Rot. Bonds5

About 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol

1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol (PubChem CID 65212512) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol
PubChem CID65212512
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)CN(CC1(O)CCCC1)C(C)C
InChIInChI=1S/C13H27NO/c1-11(2)9-14(12(3)4)10-13(15)7-5-6-8-13/h11-12,15H,5-10H2,1-4H3
InChIKeyCTHADZORKWZVDB-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol (CID 65212512) is 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol is CC(C)CN(CC1(O)CCCC1)C(C)C.
What is the InChIKey of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol?
The InChIKey is CTHADZORKWZVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)9-14(12(3)4)10-13(15)7-5-6-8-13/h11-12,15H,5-10H2,1-4H3.
What are the key properties of 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol?
1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methylpropyl(propan-2-yl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65212512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).