[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium

C13H33N2Y- — CID 176693510

IUPAC[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium
SMILESCC.CC.CCCCN(C[N-]C)C(C)C.[Y]
InChIInChI=1S/C9H21N2.2C2H6.Y/c1-5-6-7-11(8-10-4)9(2)3;2*1-2;/h9H,5-8H2,1-4H3;2*1-2H3;/q-1;;;
InChIKeyWDXVDWIPGQBTRB-UHFFFAOYSA-N
MW306.33 g/mol
LogP4.51
Rot. Bonds6

About [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium

[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium (PubChem CID 176693510) has the molecular formula C13H33N2Y- and a molecular weight of 306.33 g/mol. Its IUPAC name is [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium.

Molecular Properties

Compound Name[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium
PubChem CID176693510
Molecular FormulaC13H33N2Y-
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium
SMILESCC.CC.CCCCN(C[N-]C)C(C)C.[Y]
InChIInChI=1S/C9H21N2.2C2H6.Y/c1-5-6-7-11(8-10-4)9(2)3;2*1-2;/h9H,5-8H2,1-4H3;2*1-2H3;/q-1;;;
InChIKeyWDXVDWIPGQBTRB-UHFFFAOYSA-N
XLogP4.51
TPSA17.34 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
(2S)-N,N-dibutylhexan-2-amine
CID 124633708
1-N',1-N'-dibutylethane-1,1-diamine
CID 22600656
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N,N-dibutylpentan-2-amine;hydrate
CID 172857272
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79812309
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
1-(dibutylamino)ethanesulfonamide
CID 87395686

Frequently Asked Questions

What is the IUPAC name of [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium?
The IUPAC name of [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium (CID 176693510) is [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium.
What is the SMILES notation for [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium?
The canonical SMILES for [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium is CC.CC.CCCCN(C[N-]C)C(C)C.[Y].
What is the InChIKey of [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium?
The InChIKey is WDXVDWIPGQBTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2.2C2H6.Y/c1-5-6-7-11(8-10-4)9(2)3;2*1-2;/h9H,5-8H2,1-4H3;2*1-2H3;/q-1;;;.
What are the key properties of [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium?
[butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium has a molecular weight of 306.33 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [butyl(propan-2-yl)amino]methyl-methylazanide;ethane;yttrium is sourced from PubChem (CID 176693510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).