2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine

C10H19N — CID 59848846

IUPAC2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
SMILESCC(C)/C=C\N=C\C(C)(C)C
InChIInChI=1S/C10H19N/c1-9(2)6-7-11-8-10(3,4)5/h6-9H,1-5H3/b7-6-,11-8+
InChIKeyCQNFIIGYUCWTML-BQGCWICQSA-N
MW153.27 g/mol
LogP3.27
Rot. Bonds2

About 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine

2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine (PubChem CID 59848846) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
PubChem CID59848846
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine
SMILESCC(C)/C=C\N=C\C(C)(C)C
InChIInChI=1S/C10H19N/c1-9(2)6-7-11-8-10(3,4)5/h6-9H,1-5H3/b7-6-,11-8+
InChIKeyCQNFIIGYUCWTML-BQGCWICQSA-N
XLogP3.27
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 ≤ 53.27
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 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine?
The IUPAC name of 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine (CID 59848846) is 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine?
The canonical SMILES for 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine is CC(C)/C=C\N=C\C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine?
The InChIKey is CQNFIIGYUCWTML-BQGCWICQSA-N. The full InChI is InChI=1S/C10H19N/c1-9(2)6-7-11-8-10(3,4)5/h6-9H,1-5H3/b7-6-,11-8+.
What are the key properties of 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine?
2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine has a molecular weight of 153.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(Z)-3-methylbut-1-enyl]propan-1-imine is sourced from PubChem (CID 59848846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).