decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol

C20H45NO — CID 159290129

IUPACdecane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
SMILESCC(C)CCN(CCO)C(C)C.CCCCCCCCCC
InChIInChI=1S/C10H23NO.C10H22/c1-9(2)5-6-11(7-8-12)10(3)4;1-3-5-7-9-10-8-6-4-2/h9-10,12H,5-8H2,1-4H3;3-10H2,1-2H3
InChIKeyKZZWOBOWTLVATG-UHFFFAOYSA-N
MW315.59 g/mol
LogP5.88
Rot. Bonds13

About decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol

decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol (PubChem CID 159290129) has the molecular formula C20H45NO and a molecular weight of 315.59 g/mol. Its IUPAC name is decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Namedecane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
PubChem CID159290129
Molecular FormulaC20H45NO
Molecular Weight315.59 g/mol
Exact Mass315.35
IUPAC Namedecane;2-[3-methylbutyl(propan-2-yl)amino]ethanol
SMILESCC(C)CCN(CCO)C(C)C.CCCCCCCCCC
InChIInChI=1S/C10H23NO.C10H22/c1-9(2)5-6-11(7-8-12)10(3)4;1-3-5-7-9-10-8-6-4-2/h9-10,12H,5-8H2,1-4H3;3-10H2,1-2H3
InChIKeyKZZWOBOWTLVATG-UHFFFAOYSA-N
XLogP5.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 55.88
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

N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
2-[decan-4-yl(2-hydroxyethyl)amino]ethanol
CID 169095504
N-heptyl-N-(3-methylbutyl)heptan-1-amine
CID 139723381
N-(3-methylbutyl)-N-octadecyloctadecan-1-amine
CID 139724073
1-[2-hydroxydodecyl(propan-2-yl)amino]tridecan-2-ol
CID 171814651
2-(methylamino)-4-[pentyl(propan-2-yl)amino]butan-1-ol
CID 64826166
2-[bis(2-hydroxyethyl)amino]hexadecan-1-ol;sulfuric acid
CID 162089252
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-[dodecyl(2-hydroxyethyl)amino]tetracosan-1-ol
CID 157153844
2-[2-hydroxyethyl(pentan-2-yl)amino]ethanol
CID 107886008

Frequently Asked Questions

What is the IUPAC name of decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol?
The IUPAC name of decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol (CID 159290129) is decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol?
The canonical SMILES for decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol is CC(C)CCN(CCO)C(C)C.CCCCCCCCCC.
What is the InChIKey of decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol?
The InChIKey is KZZWOBOWTLVATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.C10H22/c1-9(2)5-6-11(7-8-12)10(3)4;1-3-5-7-9-10-8-6-4-2/h9-10,12H,5-8H2,1-4H3;3-10H2,1-2H3.
What are the key properties of decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol?
decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol has a molecular weight of 315.59 g/mol, XLogP of 5.88, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane;2-[3-methylbutyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 159290129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).