2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine

C10H19N — CID 92540526

IUPAC2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine
SMILESC=C(C)/C=N/[C@H](C)CC(C)C
InChIInChI=1S/C10H19N/c1-8(2)6-10(5)11-7-9(3)4/h7-8,10H,3,6H2,1-2,4-5H3/b11-7+/t10-/m1/s1
InChIKeyMBTDNJVYKSSQGU-UEUZTHOGSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds4

About 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine

2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine (PubChem CID 92540526) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine
PubChem CID92540526
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine
SMILESC=C(C)/C=N/[C@H](C)CC(C)C
InChIInChI=1S/C10H19N/c1-8(2)6-10(5)11-7-9(3)4/h7-8,10H,3,6H2,1-2,4-5H3/b11-7+/t10-/m1/s1
InChIKeyMBTDNJVYKSSQGU-UEUZTHOGSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine?
The IUPAC name of 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine (CID 92540526) is 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine.
What is the SMILES notation for 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine?
The canonical SMILES for 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine is C=C(C)/C=N/[C@H](C)CC(C)C.
What is the InChIKey of 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine?
The InChIKey is MBTDNJVYKSSQGU-UEUZTHOGSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)6-10(5)11-7-9(3)4/h7-8,10H,3,6H2,1-2,4-5H3/b11-7+/t10-/m1/s1.
What are the key properties of 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine?
2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R)-4-methylpentan-2-yl]prop-2-en-1-imine is sourced from PubChem (CID 92540526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).