4-methyl-3-(3-methylbutylamino)pentan-1-ol

C11H25NO — CID 104696133

IUPAC4-methyl-3-(3-methylbutylamino)pentan-1-ol
SMILESCC(C)CCNC(CCO)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)5-7-12-11(6-8-13)10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyDGGOMRSGKFBOSY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.03
Rot. Bonds7

About 4-methyl-3-(3-methylbutylamino)pentan-1-ol

4-methyl-3-(3-methylbutylamino)pentan-1-ol (PubChem CID 104696133) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-methyl-3-(3-methylbutylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(3-methylbutylamino)pentan-1-ol
PubChem CID104696133
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-methyl-3-(3-methylbutylamino)pentan-1-ol
SMILESCC(C)CCNC(CCO)C(C)C
InChIInChI=1S/C11H25NO/c1-9(2)5-7-12-11(6-8-13)10(3)4/h9-13H,5-8H2,1-4H3
InChIKeyDGGOMRSGKFBOSY-UHFFFAOYSA-N
XLogP2.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470448
2-[(1-hydroxy-4-methylpentan-3-yl)amino]-N-(2-methylpropyl)acetamide
CID 104696201
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
2-(3-methylbutylamino)propane-1,3-diol
CID 22723330
4-methyl-3-(2-methylidenebutylamino)pentan-1-ol
CID 104892117
4-methyl-3-(2-pyrazol-1-ylethylamino)pentan-1-ol
CID 104891912
4-methyl-3-(2-phenoxyethylamino)pentan-1-ol
CID 104696106

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(3-methylbutylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(3-methylbutylamino)pentan-1-ol (CID 104696133) is 4-methyl-3-(3-methylbutylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(3-methylbutylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(3-methylbutylamino)pentan-1-ol is CC(C)CCNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-(3-methylbutylamino)pentan-1-ol?
The InChIKey is DGGOMRSGKFBOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)5-7-12-11(6-8-13)10(3)4/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-methyl-3-(3-methylbutylamino)pentan-1-ol?
4-methyl-3-(3-methylbutylamino)pentan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(3-methylbutylamino)pentan-1-ol is sourced from PubChem (CID 104696133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).