3-[(7-methyloctylamino)methyl]pentan-3-ol

C15H33NO — CID 107814894

IUPAC3-[(7-methyloctylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCCCCC(C)C
InChIInChI=1S/C15H33NO/c1-5-15(17,6-2)13-16-12-10-8-7-9-11-14(3)4/h14,16-17H,5-13H2,1-4H3
InChIKeyFHGVEXCFWWMEGM-UHFFFAOYSA-N
MW243.43 g/mol
LogP3.73
Rot. Bonds11

About 3-[(7-methyloctylamino)methyl]pentan-3-ol

3-[(7-methyloctylamino)methyl]pentan-3-ol (PubChem CID 107814894) has the molecular formula C15H33NO and a molecular weight of 243.43 g/mol. Its IUPAC name is 3-[(7-methyloctylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(7-methyloctylamino)methyl]pentan-3-ol
PubChem CID107814894
Molecular FormulaC15H33NO
Molecular Weight243.43 g/mol
Exact Mass243.26
IUPAC Name3-[(7-methyloctylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCCCCC(C)C
InChIInChI=1S/C15H33NO/c1-5-15(17,6-2)13-16-12-10-8-7-9-11-14(3)4/h14,16-17H,5-13H2,1-4H3
InChIKeyFHGVEXCFWWMEGM-UHFFFAOYSA-N
XLogP3.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.43
LogP ≤ 53.73
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

3-[(3-methylbutylamino)methyl]pentan-3-ol
CID 65107919
2-methyl-1-(7-methyloctylamino)butan-2-ol
CID 104985805
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
CID 146339864
2-methyl-2-[(5-methylhexylamino)methyl]butan-1-ol
CID 115324505
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
CID 114493463
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107

Frequently Asked Questions

What is the IUPAC name of 3-[(7-methyloctylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(7-methyloctylamino)methyl]pentan-3-ol (CID 107814894) is 3-[(7-methyloctylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(7-methyloctylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(7-methyloctylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCCCCCCC(C)C.
What is the InChIKey of 3-[(7-methyloctylamino)methyl]pentan-3-ol?
The InChIKey is FHGVEXCFWWMEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO/c1-5-15(17,6-2)13-16-12-10-8-7-9-11-14(3)4/h14,16-17H,5-13H2,1-4H3.
What are the key properties of 3-[(7-methyloctylamino)methyl]pentan-3-ol?
3-[(7-methyloctylamino)methyl]pentan-3-ol has a molecular weight of 243.43 g/mol, XLogP of 3.73, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-methyloctylamino)methyl]pentan-3-ol is sourced from PubChem (CID 107814894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).