3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol

C12H27NO — CID 65107716

IUPAC3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)CC(C)C
InChIInChI=1S/C12H27NO/c1-6-12(14,7-2)9-13-11(5)8-10(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyYOISGPBAHQITPG-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.56
Rot. Bonds7

About 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol

3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol (PubChem CID 65107716) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
PubChem CID65107716
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNC(C)CC(C)C
InChIInChI=1S/C12H27NO/c1-6-12(14,7-2)9-13-11(5)8-10(3)4/h10-11,13-14H,6-9H2,1-5H3
InChIKeyYOISGPBAHQITPG-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol (CID 65107716) is 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol is CCC(O)(CC)CNC(C)CC(C)C.
What is the InChIKey of 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol?
The InChIKey is YOISGPBAHQITPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-6-12(14,7-2)9-13-11(5)8-10(3)4/h10-11,13-14H,6-9H2,1-5H3.
What are the key properties of 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol?
3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol has a molecular weight of 201.35 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylpentan-2-ylamino)methyl]pentan-3-ol is sourced from PubChem (CID 65107716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).