N-[(2R)-3-methylbut-3-en-2-yl]methanimine

C6H11N — CID 147143898

IUPACN-[(2R)-3-methylbut-3-en-2-yl]methanimine
SMILESC=N[C@H](C)C(=C)C
InChIInChI=1S/C6H11N/c1-5(2)6(3)7-4/h6H,1,4H2,2-3H3/t6-/m1/s1
InChIKeyBSQSBOXKZKPGRT-ZCFIWIBFSA-N
MW97.16 g/mol
LogP1.65
Rot. Bonds2

About N-[(2R)-3-methylbut-3-en-2-yl]methanimine

N-[(2R)-3-methylbut-3-en-2-yl]methanimine (PubChem CID 147143898) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is N-[(2R)-3-methylbut-3-en-2-yl]methanimine.

Molecular Properties

Compound NameN-[(2R)-3-methylbut-3-en-2-yl]methanimine
PubChem CID147143898
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC NameN-[(2R)-3-methylbut-3-en-2-yl]methanimine
SMILESC=N[C@H](C)C(=C)C
InChIInChI=1S/C6H11N/c1-5(2)6(3)7-4/h6H,1,4H2,2-3H3/t6-/m1/s1
InChIKeyBSQSBOXKZKPGRT-ZCFIWIBFSA-N
XLogP1.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methylbut-3-en-2-yl]methanimine?
The IUPAC name of N-[(2R)-3-methylbut-3-en-2-yl]methanimine (CID 147143898) is N-[(2R)-3-methylbut-3-en-2-yl]methanimine.
What is the SMILES notation for N-[(2R)-3-methylbut-3-en-2-yl]methanimine?
The canonical SMILES for N-[(2R)-3-methylbut-3-en-2-yl]methanimine is C=N[C@H](C)C(=C)C.
What is the InChIKey of N-[(2R)-3-methylbut-3-en-2-yl]methanimine?
The InChIKey is BSQSBOXKZKPGRT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11N/c1-5(2)6(3)7-4/h6H,1,4H2,2-3H3/t6-/m1/s1.
What are the key properties of N-[(2R)-3-methylbut-3-en-2-yl]methanimine?
N-[(2R)-3-methylbut-3-en-2-yl]methanimine has a molecular weight of 97.16 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methylbut-3-en-2-yl]methanimine is sourced from PubChem (CID 147143898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).