2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine

C10H19N — CID 12064035

IUPAC2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine
SMILESC=CCC(C)(C)/C=N/C(C)C
InChIInChI=1S/C10H19N/c1-6-7-10(4,5)8-11-9(2)3/h6,8-9H,1,7H2,2-5H3/b11-8+
InChIKeyZMBFSJVNWOSYHA-DHZHZOJOSA-N
MW153.27 g/mol
LogP3.07
Rot. Bonds4

About 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine

2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine (PubChem CID 12064035) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine.

Molecular Properties

Compound Name2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine
PubChem CID12064035
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine
SMILESC=CCC(C)(C)/C=N/C(C)C
InChIInChI=1S/C10H19N/c1-6-7-10(4,5)8-11-9(2)3/h6,8-9H,1,7H2,2-5H3/b11-8+
InChIKeyZMBFSJVNWOSYHA-DHZHZOJOSA-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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine?
The IUPAC name of 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine (CID 12064035) is 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine.
What is the SMILES notation for 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine?
The canonical SMILES for 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine is C=CCC(C)(C)/C=N/C(C)C.
What is the InChIKey of 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine?
The InChIKey is ZMBFSJVNWOSYHA-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19N/c1-6-7-10(4,5)8-11-9(2)3/h6,8-9H,1,7H2,2-5H3/b11-8+.
What are the key properties of 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine?
2,2-dimethyl-N-propan-2-ylpent-4-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 2,2-dimethyl-N-propan-2-ylpent-4-en-1-imine is sourced from PubChem (CID 12064035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).