4-butyl-1-(dimethylamino)-4-methyldecan-2-ol

C17H37NO — CID 139313322

IUPAC4-butyl-1-(dimethylamino)-4-methyldecan-2-ol
SMILESCCCCCCC(C)(CCCC)CC(O)CN(C)C
InChIInChI=1S/C17H37NO/c1-6-8-10-11-13-17(3,12-9-7-2)14-16(19)15-18(4)5/h16,19H,6-15H2,1-5H3
InChIKeyBHTAXOQADPRPIP-UHFFFAOYSA-N
MW271.49 g/mol
LogP4.47
Rot. Bonds12

About 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol

4-butyl-1-(dimethylamino)-4-methyldecan-2-ol (PubChem CID 139313322) has the molecular formula C17H37NO and a molecular weight of 271.49 g/mol. Its IUPAC name is 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol.

Molecular Properties

Compound Name4-butyl-1-(dimethylamino)-4-methyldecan-2-ol
PubChem CID139313322
Molecular FormulaC17H37NO
Molecular Weight271.49 g/mol
Exact Mass271.29
IUPAC Name4-butyl-1-(dimethylamino)-4-methyldecan-2-ol
SMILESCCCCCCC(C)(CCCC)CC(O)CN(C)C
InChIInChI=1S/C17H37NO/c1-6-8-10-11-13-17(3,12-9-7-2)14-16(19)15-18(4)5/h16,19H,6-15H2,1-5H3
InChIKeyBHTAXOQADPRPIP-UHFFFAOYSA-N
XLogP4.47
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hexyl-4-methylundecane-1,2-diol
CID 139372551
5-butyl-5-methylpentadecane
CID 174700907
3-hexyl-N,N,3-trimethylnonan-1-amine
CID 167121945
11-methyl-11-nonylhenicosane
CID 19690388
13-methyl-13-octylhentriacontane
CID 173152457
17-methyl-17,19-di(tetradecyl)pentatriacontane
CID 91342880
5-ethyl-5-methylundecane
CID 57491570
5-ethyl-5-methylhenicosane
CID 86034991
5-ethyl-5-methylhentetracontane
CID 123896152
calcium;2-(2-decyl-2-methyldodecyl)propanedioic acid;hydride
CID 174968730
3,3-dimethylnonan-2-ol
CID 19931299
N-methyl-N-(2-methylnonan-2-yl)hydroxylamine
CID 159576424

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol?
The IUPAC name of 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol (CID 139313322) is 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol.
What is the SMILES notation for 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol?
The canonical SMILES for 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol is CCCCCCC(C)(CCCC)CC(O)CN(C)C.
What is the InChIKey of 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol?
The InChIKey is BHTAXOQADPRPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO/c1-6-8-10-11-13-17(3,12-9-7-2)14-16(19)15-18(4)5/h16,19H,6-15H2,1-5H3.
What are the key properties of 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol?
4-butyl-1-(dimethylamino)-4-methyldecan-2-ol has a molecular weight of 271.49 g/mol, XLogP of 4.47, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(dimethylamino)-4-methyldecan-2-ol is sourced from PubChem (CID 139313322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).