N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine

C10H19N — CID 130244672

IUPACN-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine
SMILESC/C=C(\C)C(C)(C)N=C(C)C
InChIInChI=1S/C10H19N/c1-7-9(4)10(5,6)11-8(2)3/h7H,1-6H3/b9-7+
InChIKeyQVOGVBOTPZHDHP-VQHVLOKHSA-N
MW153.27 g/mol
LogP3.21
Rot. Bonds2

About N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine

N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine (PubChem CID 130244672) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine.

Molecular Properties

Compound NameN-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine
PubChem CID130244672
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC NameN-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine
SMILESC/C=C(\C)C(C)(C)N=C(C)C
InChIInChI=1S/C10H19N/c1-7-9(4)10(5,6)11-8(2)3/h7H,1-6H3/b9-7+
InChIKeyQVOGVBOTPZHDHP-VQHVLOKHSA-N
XLogP3.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine?
The IUPAC name of N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine (CID 130244672) is N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine.
What is the SMILES notation for N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine?
The canonical SMILES for N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine is C/C=C(\C)C(C)(C)N=C(C)C.
What is the InChIKey of N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine?
The InChIKey is QVOGVBOTPZHDHP-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H19N/c1-7-9(4)10(5,6)11-8(2)3/h7H,1-6H3/b9-7+.
What are the key properties of N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine?
N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine has a molecular weight of 153.27 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2,3-dimethylpent-3-en-2-yl]propan-2-imine is sourced from PubChem (CID 130244672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).