N-benzylpropan-2-amine;cumene;methane;yttrium

C22H39NY — CID 159029176

IUPACN-benzylpropan-2-amine;cumene;methane;yttrium
SMILESC.C.C.CC(C)NCc1ccccc1.CC(C)c1ccccc1.[Y]
InChIInChI=1S/C10H15N.C9H12.3CH4.Y/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;;;;/h3-7,9,11H,8H2,1-2H3;3-8H,1-2H3;3*1H4;
InChIKeyJUQUETZBTCJWGU-UHFFFAOYSA-N
MW406.47 g/mol
LogP6.90
Rot. Bonds4

About N-benzylpropan-2-amine;cumene;methane;yttrium

N-benzylpropan-2-amine;cumene;methane;yttrium (PubChem CID 159029176) has the molecular formula C22H39NY and a molecular weight of 406.47 g/mol. Its IUPAC name is N-benzylpropan-2-amine;cumene;methane;yttrium.

Molecular Properties

Compound NameN-benzylpropan-2-amine;cumene;methane;yttrium
PubChem CID159029176
Molecular FormulaC22H39NY
Molecular Weight406.47 g/mol
Exact Mass406.21
IUPAC NameN-benzylpropan-2-amine;cumene;methane;yttrium
SMILESC.C.C.CC(C)NCc1ccccc1.CC(C)c1ccccc1.[Y]
InChIInChI=1S/C10H15N.C9H12.3CH4.Y/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;;;;/h3-7,9,11H,8H2,1-2H3;3-8H,1-2H3;3*1H4;
InChIKeyJUQUETZBTCJWGU-UHFFFAOYSA-N
XLogP6.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.47
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-(4-propan-2-ylphenyl)ethanamine
CID 43177533
(1S)-N-benzyl-1-phenylethanamine;sulfane
CID 157387061
cumene;ethylbenzene;methane
CID 159529846
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 75493904
(2R,3R)-N-benzyl-3-phenylbutan-2-amine
CID 101198951
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
cumene;ruthenium(2+);dichloride
CID 23094461
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
cumene
CID 161227923
1-phenyl-N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 79008837
cumene;N,N-dimethylmethanamine;methane;yttrium
CID 158169650

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;cumene;methane;yttrium?
The IUPAC name of N-benzylpropan-2-amine;cumene;methane;yttrium (CID 159029176) is N-benzylpropan-2-amine;cumene;methane;yttrium.
What is the SMILES notation for N-benzylpropan-2-amine;cumene;methane;yttrium?
The canonical SMILES for N-benzylpropan-2-amine;cumene;methane;yttrium is C.C.C.CC(C)NCc1ccccc1.CC(C)c1ccccc1.[Y].
What is the InChIKey of N-benzylpropan-2-amine;cumene;methane;yttrium?
The InChIKey is JUQUETZBTCJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12.3CH4.Y/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)9-6-4-3-5-7-9;;;;/h3-7,9,11H,8H2,1-2H3;3-8H,1-2H3;3*1H4;.
What are the key properties of N-benzylpropan-2-amine;cumene;methane;yttrium?
N-benzylpropan-2-amine;cumene;methane;yttrium has a molecular weight of 406.47 g/mol, XLogP of 6.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;cumene;methane;yttrium is sourced from PubChem (CID 159029176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).