2-methyl-N-[(E)-pentylideneamino]propan-2-amine

C9H20N2 — CID 13301930

IUPAC2-methyl-N-[(E)-pentylideneamino]propan-2-amine
SMILESCCCC/C=N/NC(C)(C)C
InChIInChI=1S/C9H20N2/c1-5-6-7-8-10-11-9(2,3)4/h8,11H,5-7H2,1-4H3/b10-8+
InChIKeyFUDGVVZSUYTQKH-CSKARUKUSA-N
MW156.27 g/mol
LogP2.55
Rot. Bonds4

About 2-methyl-N-[(E)-pentylideneamino]propan-2-amine

2-methyl-N-[(E)-pentylideneamino]propan-2-amine (PubChem CID 13301930) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 2-methyl-N-[(E)-pentylideneamino]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(E)-pentylideneamino]propan-2-amine
PubChem CID13301930
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name2-methyl-N-[(E)-pentylideneamino]propan-2-amine
SMILESCCCC/C=N/NC(C)(C)C
InChIInChI=1S/C9H20N2/c1-5-6-7-8-10-11-9(2,3)4/h8,11H,5-7H2,1-4H3/b10-8+
InChIKeyFUDGVVZSUYTQKH-CSKARUKUSA-N
XLogP2.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-pentylideneamino]propan-2-amine?
The IUPAC name of 2-methyl-N-[(E)-pentylideneamino]propan-2-amine (CID 13301930) is 2-methyl-N-[(E)-pentylideneamino]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(E)-pentylideneamino]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(E)-pentylideneamino]propan-2-amine is CCCC/C=N/NC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(E)-pentylideneamino]propan-2-amine?
The InChIKey is FUDGVVZSUYTQKH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H20N2/c1-5-6-7-8-10-11-9(2,3)4/h8,11H,5-7H2,1-4H3/b10-8+.
What are the key properties of 2-methyl-N-[(E)-pentylideneamino]propan-2-amine?
2-methyl-N-[(E)-pentylideneamino]propan-2-amine has a molecular weight of 156.27 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(E)-pentylideneamino]propan-2-amine is sourced from PubChem (CID 13301930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).