4-(propylaminomethyl)heptan-4-ol

C11H25NO — CID 62774310

IUPAC4-(propylaminomethyl)heptan-4-ol
SMILESCCCNCC(O)(CCC)CCC
InChIInChI=1S/C11H25NO/c1-4-7-11(13,8-5-2)10-12-9-6-3/h12-13H,4-10H2,1-3H3
InChIKeyXBQPUVHSPYMUEF-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.32
Rot. Bonds8

About 4-(propylaminomethyl)heptan-4-ol

4-(propylaminomethyl)heptan-4-ol (PubChem CID 62774310) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 4-(propylaminomethyl)heptan-4-ol.

Molecular Properties

Compound Name4-(propylaminomethyl)heptan-4-ol
PubChem CID62774310
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name4-(propylaminomethyl)heptan-4-ol
SMILESCCCNCC(O)(CCC)CCC
InChIInChI=1S/C11H25NO/c1-4-7-11(13,8-5-2)10-12-9-6-3/h12-13H,4-10H2,1-3H3
InChIKeyXBQPUVHSPYMUEF-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(propylamino)hexan-2-ol
CID 66039147
3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
2,2-dimethyl-N-propylpropan-1-amine
CID 551573
3-[(2-ethyl-2-hydroxybutyl)amino]-N-methylpropanamide
CID 65111221
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463
3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
3-[[2-(dimethylamino)ethylamino]methyl]pentan-3-ol
CID 65111554
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
3-[(2-butoxyethylamino)methyl]pentan-3-ol
CID 65111219
azane;3-ethylhexan-3-ol;hydrochloride
CID 175147879
4-[(thiophen-2-ylmethylamino)methyl]heptan-4-ol
CID 111436964

Frequently Asked Questions

What is the IUPAC name of 4-(propylaminomethyl)heptan-4-ol?
The IUPAC name of 4-(propylaminomethyl)heptan-4-ol (CID 62774310) is 4-(propylaminomethyl)heptan-4-ol.
What is the SMILES notation for 4-(propylaminomethyl)heptan-4-ol?
The canonical SMILES for 4-(propylaminomethyl)heptan-4-ol is CCCNCC(O)(CCC)CCC.
What is the InChIKey of 4-(propylaminomethyl)heptan-4-ol?
The InChIKey is XBQPUVHSPYMUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-7-11(13,8-5-2)10-12-9-6-3/h12-13H,4-10H2,1-3H3.
What are the key properties of 4-(propylaminomethyl)heptan-4-ol?
4-(propylaminomethyl)heptan-4-ol has a molecular weight of 187.33 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylaminomethyl)heptan-4-ol is sourced from PubChem (CID 62774310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).