N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium

C21H44NOY- — CID 169203527

IUPACN-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium
SMILESC=C(CCCCCCCO)CC(C)CCC.C[CH-]NCCCC.[Y]
InChIInChI=1S/C15H30O.C6H14N.Y/c1-4-10-14(2)13-15(3)11-8-6-5-7-9-12-16;1-3-5-6-7-4-2;/h14,16H,3-13H2,1-2H3;4,7H,3,5-6H2,1-2H3;/q;-1;
InChIKeyYCJXMAPUORKMCU-UHFFFAOYSA-N
MW415.50 g/mol
LogP6.26
Rot. Bonds15

About N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium

N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium (PubChem CID 169203527) has the molecular formula C21H44NOY- and a molecular weight of 415.50 g/mol. Its IUPAC name is N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium.

Molecular Properties

Compound NameN-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium
PubChem CID169203527
Molecular FormulaC21H44NOY-
Molecular Weight415.50 g/mol
Exact Mass415.25
IUPAC NameN-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium
SMILESC=C(CCCCCCCO)CC(C)CCC.C[CH-]NCCCC.[Y]
InChIInChI=1S/C15H30O.C6H14N.Y/c1-4-10-14(2)13-15(3)11-8-6-5-7-9-12-16;1-3-5-6-7-4-2;/h14,16H,3-13H2,1-2H3;4,7H,3,5-6H2,1-2H3;/q;-1;
InChIKeyYCJXMAPUORKMCU-UHFFFAOYSA-N
XLogP6.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-4-methyl-2-(5-methylhexyl)-3-methylidenedecan-1-ol
CID 91057975
(3S)-8-(2,2-dimethylpropylamino)-3-propyloct-1-en-2-ol
CID 144711875
6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine
CID 146336876
8-methylidene-N-[8-(2-octyldecoxy)octyl]octadecan-1-amine
CID 156043475
3,5,6-Trimethyl-5-[2-(3-methylazepan-3-yl)ethyl]hept-6-en-1-ol
CID 163566505
ethenol;N-hept-6-enyl-9-hexylpentadecan-1-amine;7-(3-methoxypropyl)tridecane
CID 168892067
(4S)-2,7-dimethyl-4-[4-(propan-2-ylamino)butyl]oct-1-en-3-ol
CID 169684895
2,6,15,19,23-Pentamethyl-26-methylidene-1-(undec-1-en-2-ylamino)pentatriacontan-11-ol
CID 170636143
Ethane;2-methyl-10-methylidene-11-propylpentadecane;5-(2-methylnonylamino)pentan-1-ol;propane
CID 177148739
2-butylheptan-1-ol;N-propylbutan-1-amine
CID 20317947
3-[17-(Ethylamino)heptadec-8-enyl]pentane-1,5-diol
CID 57352727

Frequently Asked Questions

What is the IUPAC name of N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium?
The IUPAC name of N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium (CID 169203527) is N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium.
What is the SMILES notation for N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium?
The canonical SMILES for N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium is C=C(CCCCCCCO)CC(C)CCC.C[CH-]NCCCC.[Y].
What is the InChIKey of N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium?
The InChIKey is YCJXMAPUORKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O.C6H14N.Y/c1-4-10-14(2)13-15(3)11-8-6-5-7-9-12-16;1-3-5-6-7-4-2;/h14,16H,3-13H2,1-2H3;4,7H,3,5-6H2,1-2H3;/q;-1;.
What are the key properties of N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium?
N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium has a molecular weight of 415.50 g/mol, XLogP of 6.26, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylbutan-1-amine;10-methyl-8-methylidenetridecan-1-ol;yttrium is sourced from PubChem (CID 169203527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).