2-methyl-1-(7-methyloctylamino)butan-2-ol

C14H31NO — CID 104985805

IUPAC2-methyl-1-(7-methyloctylamino)butan-2-ol
SMILESCCC(C)(O)CNCCCCCCC(C)C
InChIInChI=1S/C14H31NO/c1-5-14(4,16)12-15-11-9-7-6-8-10-13(2)3/h13,15-16H,5-12H2,1-4H3
InChIKeyRFSDXDGTTAFPFZ-UHFFFAOYSA-N
MW229.41 g/mol
LogP3.34
Rot. Bonds10

About 2-methyl-1-(7-methyloctylamino)butan-2-ol

2-methyl-1-(7-methyloctylamino)butan-2-ol (PubChem CID 104985805) has the molecular formula C14H31NO and a molecular weight of 229.41 g/mol. Its IUPAC name is 2-methyl-1-(7-methyloctylamino)butan-2-ol.

Molecular Properties

Compound Name2-methyl-1-(7-methyloctylamino)butan-2-ol
PubChem CID104985805
Molecular FormulaC14H31NO
Molecular Weight229.41 g/mol
Exact Mass229.24
IUPAC Name2-methyl-1-(7-methyloctylamino)butan-2-ol
SMILESCCC(C)(O)CNCCCCCCC(C)C
InChIInChI=1S/C14H31NO/c1-5-14(4,16)12-15-11-9-7-6-8-10-13(2)3/h13,15-16H,5-12H2,1-4H3
InChIKeyRFSDXDGTTAFPFZ-UHFFFAOYSA-N
XLogP3.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.41
LogP ≤ 53.34
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

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CID 107814894
N-(2,2-dimethylpropyl)-9-methyldecan-1-amine
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CID 115324505
2-methyl-2-[(5-methylhexylamino)methyl]propane-1,3-diol
CID 115325569
11-methyl-N-(6-methylheptyl)dodecan-1-amine
CID 175343740
10-methyl-N-(10-methylundecyl)undecan-1-amine
CID 22625170
2-N-ethyl-2-methyl-1-N-(5-methylhexyl)propane-1,2-diamine
CID 115326129
1-(7-methyloctylamino)-2-phenylpropan-2-ol
CID 107815064
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
N-(6-methylheptyl)octadecan-1-amine
CID 162253708
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
2-methyl-1-(3-methylsulfinylbutylamino)butan-2-ol
CID 114493706

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyloctylamino)butan-2-ol?
The IUPAC name of 2-methyl-1-(7-methyloctylamino)butan-2-ol (CID 104985805) is 2-methyl-1-(7-methyloctylamino)butan-2-ol.
What is the SMILES notation for 2-methyl-1-(7-methyloctylamino)butan-2-ol?
The canonical SMILES for 2-methyl-1-(7-methyloctylamino)butan-2-ol is CCC(C)(O)CNCCCCCCC(C)C.
What is the InChIKey of 2-methyl-1-(7-methyloctylamino)butan-2-ol?
The InChIKey is RFSDXDGTTAFPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO/c1-5-14(4,16)12-15-11-9-7-6-8-10-13(2)3/h13,15-16H,5-12H2,1-4H3.
What are the key properties of 2-methyl-1-(7-methyloctylamino)butan-2-ol?
2-methyl-1-(7-methyloctylamino)butan-2-ol has a molecular weight of 229.41 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyloctylamino)butan-2-ol is sourced from PubChem (CID 104985805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).