1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine

C13H22N2 — CID 177054092

IUPAC1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine
SMILESC=NC1=C(/C=N/CCC)CC(C(C)C)C1
InChIInChI=1S/C13H22N2/c1-5-6-15-9-12-7-11(10(2)3)8-13(12)14-4/h9-11H,4-8H2,1-3H3/b15-9+
InChIKeyCRSYXZBDBFSQKC-OQLLNIDSSA-N
MW206.33 g/mol
LogP3.49
Rot. Bonds5

About 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine

1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine (PubChem CID 177054092) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine.

Molecular Properties

Compound Name1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine
PubChem CID177054092
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine
SMILESC=NC1=C(/C=N/CCC)CC(C(C)C)C1
InChIInChI=1S/C13H22N2/c1-5-6-15-9-12-7-11(10(2)3)8-13(12)14-4/h9-11H,4-8H2,1-3H3/b15-9+
InChIKeyCRSYXZBDBFSQKC-OQLLNIDSSA-N
XLogP3.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine?
The IUPAC name of 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine (CID 177054092) is 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine.
What is the SMILES notation for 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine?
The canonical SMILES for 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine is C=NC1=C(/C=N/CCC)CC(C(C)C)C1.
What is the InChIKey of 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine?
The InChIKey is CRSYXZBDBFSQKC-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-6-15-9-12-7-11(10(2)3)8-13(12)14-4/h9-11H,4-8H2,1-3H3/b15-9+.
What are the key properties of 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine?
1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine has a molecular weight of 206.33 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylideneamino)-4-propan-2-ylcyclopenten-1-yl]-N-propylmethanimine is sourced from PubChem (CID 177054092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).