N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine

C10H19N — CID 134224325

IUPACN-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine
SMILESC/C=C(\C)[C@@H](C)/N=C(\C)CC
InChIInChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h6,10H,7H2,1-5H3/b8-6+,11-9+/t10-/m1/s1
InChIKeySWHCXUUQUJUZFX-BXAHYRJGSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds3

About N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine

N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine (PubChem CID 134224325) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine.

Molecular Properties

Compound NameN-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine
PubChem CID134224325
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine
SMILESC/C=C(\C)[C@@H](C)/N=C(\C)CC
InChIInChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h6,10H,7H2,1-5H3/b8-6+,11-9+/t10-/m1/s1
InChIKeySWHCXUUQUJUZFX-BXAHYRJGSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.21
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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Related Compounds

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CID 23422226
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CID 57840662
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CID 58590796
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CID 59085075
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Frequently Asked Questions

What is the IUPAC name of N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine?
The IUPAC name of N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine (CID 134224325) is N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine.
What is the SMILES notation for N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine?
The canonical SMILES for N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine is C/C=C(\C)[C@@H](C)/N=C(\C)CC.
What is the InChIKey of N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine?
The InChIKey is SWHCXUUQUJUZFX-BXAHYRJGSA-N. The full InChI is InChI=1S/C10H19N/c1-6-8(3)10(5)11-9(4)7-2/h6,10H,7H2,1-5H3/b8-6+,11-9+/t10-/m1/s1.
What are the key properties of N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine?
N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,2R)-3-methylpent-3-en-2-yl]butan-2-imine is sourced from PubChem (CID 134224325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).